CID 15958952

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

Structural Information

Molecular Formula
C17H16ClN2O3P
SMILES
CC1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC
InChI
InChI=1S/C17H16ClN2O3P/c1-10-4-3-5-12(8-10)24(22,23-2)16-13-9-11(18)6-7-14(13)20-15(16)17(19)21/h3-9,20H,1-2H3,(H2,19,21)
InChIKey
YKARUANPHRETEN-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-(3-methylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05872 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06600 182.8
[M+Na]+ 385.04794 192.6
[M-H]- 361.05144 187.5
[M+NH4]+ 380.09254 197.3
[M+K]+ 401.02188 186.5
[M+H-H2O]+ 345.05598 173.7
[M+HCOO]- 407.05692 204.2
[M+CH3COO]- 421.07257 214.0
[M+Na-2H]- 383.03339 182.4
[M]+ 362.05817 187.2
[M]- 362.05927 187.2
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

No patent data available for this compound.