CID 15958929

5-chloro-3-[methoxy(phenyl)phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C16H14ClN2O3P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H14ClN2O3P/c1-22-23(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
NBMJEMWDMSGPCM-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

348.04306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05034 177.9
[M+Na]+ 371.03228 187.3
[M-H]- 347.03578 182.3
[M+NH4]+ 366.07688 192.6
[M+K]+ 387.00622 181.3
[M+H-H2O]+ 331.04032 168.7
[M+HCOO]- 393.04126 199.7
[M+CH3COO]- 407.05691 209.8
[M+Na-2H]- 369.01773 178.6
[M]+ 348.04251 181.5
[M]- 348.04361 181.5
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