CID 15958987

Schembl12230027

Structural Information

Molecular Formula
C23H21ClN3O4P
SMILES
COC1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=NC=C4)OC
InChI
InChI=1S/C23H21ClN3O4P/c1-30-17-4-3-5-18(13-17)32(29,31-2)22-19-12-16(24)6-7-20(19)27-21(22)23(28)26-14-15-8-10-25-11-9-15/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKey
ZKEFRNDKIHVXCX-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-(3-methoxyphenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

469.09583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10311 209.0
[M+Na]+ 492.08505 216.4
[M-H]- 468.08855 215.3
[M+NH4]+ 487.12965 217.0
[M+K]+ 508.05899 210.3
[M+H-H2O]+ 452.09309 196.5
[M+HCOO]- 514.09403 228.6
[M+CH3COO]- 528.10968 232.5
[M+Na-2H]- 490.07050 209.0
[M]+ 469.09528 214.9
[M]- 469.09638 214.9
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