CID 15959010

Schembl12230049

Structural Information

Molecular Formula
C23H20ClN2O3P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C23H20ClN2O3P/c1-29-30(28,18-10-6-3-7-11-18)22-19-14-17(24)12-13-20(19)26-21(22)23(27)25-15-16-8-4-2-5-9-16/h2-14,26H,15H2,1H3,(H,25,27)
InChIKey
HBLISDMKPXZQCH-UHFFFAOYSA-N
Compound name
N-benzyl-5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

438.09 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09728 203.2
[M+Na]+ 461.07922 210.4
[M-H]- 437.08272 210.4
[M+NH4]+ 456.12382 213.7
[M+K]+ 477.05316 203.3
[M+H-H2O]+ 421.08726 191.6
[M+HCOO]- 483.08820 224.1
[M+CH3COO]- 497.10385 226.5
[M+Na-2H]- 459.06467 203.3
[M]+ 438.08945 207.2
[M]- 438.09055 207.2
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