Fosveset (C33H44N3O14P)

Structural Information

Molecular Formula

SMILES

C1CC(CCC1OP(=O)(O)OCC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C33H44N3O14P/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)

InChIKey

NZLPWFTXPYJYSS-UHFFFAOYSA-N

Compound name

2-[[2-[bis(carboxymethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-hydroxyphosphoryl]oxypropyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	738.263376	244.9
[M+Na]+	760.245318	246.6
[M-H]-	736.248824	248.7
[M+NH4]+	755.289923	247.2
[M+K]+	776.219258	237.0
[M+H-H2O]+	720.253360	223.6
[M+HCOO]-	782.254301	248.7
[M+CH3COO]-	796.269951	285.6
[M+Na-2H]-	758.230766	272.5
[M]+	737.25555142	267.6
[M]-	737.25664858	267.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

738.263376

244.9

[M+Na]+

760.245318

246.6

[M-H]-

736.248824

248.7

[M+NH4]+

755.289923

247.2

[M+K]+

776.219258

237.0

[M+H-H2O]+

720.253360

223.6

[M+HCOO]-

782.254301

248.7

[M+CH3COO]-

796.269951

285.6

[M+Na-2H]-

758.230766

272.5

[M]+

737.25555142

267.6

[M]-

737.25664858

267.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fosveset

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe