CID 15958996

N-[(1s)-2-amino-2-oxo-1-phenyl-ethyl]-5-chloro-3-[methoxy(phenyl)phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C24H21ClN3O4P
SMILES
CO[P@](=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C24H21ClN3O4P/c1-32-33(31,17-10-6-3-7-11-17)22-18-14-16(25)12-13-19(18)27-21(22)24(30)28-20(23(26)29)15-8-4-2-5-9-15/h2-14,20,27H,1H3,(H2,26,29)(H,28,30)/t20-,33+/m0/s1
InChIKey
CETMOXSJZOCVJT-NLINSNCNSA-N
Compound name
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.09583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.10311 210.0
[M+Na]+ 504.08505 214.9
[M-H]- 480.08855 216.9
[M+NH4]+ 499.12965 217.8
[M+K]+ 520.05899 209.4
[M+H-H2O]+ 464.09309 198.7
[M+HCOO]- 526.09403 229.5
[M+CH3COO]- 540.10968 237.3
[M+Na-2H]- 502.07050 208.2
[M]+ 481.09528 212.4
[M]- 481.09638 212.4
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

No patent data available for this compound.