CID 15958937

Chembl1650744

Structural Information

Molecular Formula
C16H14ClN2O2P
SMILES
CP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H14ClN2O2P/c1-22(21,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKey
VNOSREICZPKZRF-UHFFFAOYSA-N
Compound name
5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

332.04816 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05544 175.6
[M+Na]+ 355.03738 185.3
[M-H]- 331.04088 180.0
[M+NH4]+ 350.08198 191.2
[M+K]+ 371.01132 178.5
[M+H-H2O]+ 315.04542 166.6
[M+HCOO]- 377.04636 197.3
[M+CH3COO]- 391.06201 207.6
[M+Na-2H]- 353.02283 176.1
[M]+ 332.04761 177.9
[M]- 332.04871 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe