CID 9919137

Fosveset

Structural Information

Molecular Formula
C33H44N3O14P
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

compound 2d structure
7
Annotation Hits

269
References

155
Patents

737.2561 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.26338 244.9
[M+Na]+ 760.24532 246.6
[M-H]- 736.24882 248.7
[M+NH4]+ 755.28992 247.2
[M+K]+ 776.21926 237.0
[M+H-H2O]+ 720.25336 223.6
[M+HCOO]- 782.25430 248.7
[M+CH3COO]- 796.26995 285.6
[M+Na-2H]- 758.23077 272.5
[M]+ 737.25555 267.6
[M]- 737.25665 267.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe