PubChemLite - 882757-24-6 (C24H37N4O7PS)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C(C)(C)NP(=O)(C1=CC=C(O1)C2=C(SC(=N2)N)C(=O)C(C)(C)C)NC(C)(C)C(=O)OCC

InChI

InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)

InChIKey

CTKZZUXRWBCFEI-UHFFFAOYSA-N

Compound name

ethyl 2-[[[5-[2-amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-4-yl]furan-2-yl]-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl]amino]-2-methylpropanoate

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]+	557.21932	226.4
[M+Na]+	579.20126	226.5
[M+NH4]+	574.24586	225.3
[M+K]+	595.17520	231.4
[M-H]-	555.20476	223.9
[M+Na-2H]-	577.18671	225.3
[M]+	556.21149	225.4
[M]-	556.21259	225.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.21932

226.4

[M+Na]+

579.20126

226.5

[M+NH4]+

574.24586

225.3

[M+K]+

595.17520

231.4

[M-H]-

555.20476

223.9

[M+Na-2H]-

577.18671

225.3

[M]+

556.21149

225.4

[M]-

556.21259

225.4

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

882757-24-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe