CID 15959005

Schembl12229866

Structural Information

Molecular Formula
C17H13ClN3O3P
SMILES
COP(=O)(C1=CC=CC(=C1)C#N)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H13ClN3O3P/c1-24-25(23,12-4-2-3-10(7-12)9-19)16-13-8-11(18)5-6-14(13)21-15(16)17(20)22/h2-8,21H,1H3,(H2,20,22)
InChIKey
KYWBDFSZWANLLO-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-cyanophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

373.0383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04558 188.5
[M+Na]+ 396.02752 200.2
[M-H]- 372.03102 191.2
[M+NH4]+ 391.07212 200.5
[M+K]+ 412.00146 192.1
[M+H-H2O]+ 356.03556 172.9
[M+HCOO]- 418.03650 206.0
[M+CH3COO]- 432.05215 223.9
[M+Na-2H]- 394.01297 187.4
[M]+ 373.03775 186.7
[M]- 373.03885 186.7
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