CID 15958930

Schembl2535129

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
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 182.6
[M+Na]+ 385.04794 191.6
[M-H]- 361.05144 186.9
[M+NH4]+ 380.09254 196.8
[M+K]+ 401.02188 185.4
[M+H-H2O]+ 345.05598 173.2
[M+HCOO]- 407.05692 204.1
[M+CH3COO]- 421.07257 212.7
[M+Na-2H]- 383.03339 182.9
[M]+ 362.05817 186.6
[M]- 362.05927 186.6
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