CID 15958932

Schembl12230023

Structural Information

Molecular Formula
C22H19ClN3O3P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C22H19ClN3O3P/c1-29-30(28,17-5-3-2-4-6-17)21-18-13-16(23)7-8-19(18)26-20(21)22(27)25-14-15-9-11-24-12-10-15/h2-13,26H,14H2,1H3,(H,25,27)
InChIKey
RHMNRAOFJMVFLM-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

439.08527 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09255 201.9
[M+Na]+ 462.07449 209.3
[M-H]- 438.07799 208.0
[M+NH4]+ 457.11909 210.9
[M+K]+ 478.04843 202.3
[M+H-H2O]+ 422.08253 189.5
[M+HCOO]- 484.08347 221.7
[M+CH3COO]- 498.09912 226.2
[M+Na-2H]- 460.05994 202.7
[M]+ 439.08472 205.8
[M]- 439.08582 205.8
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