CID 15959031

Chembl3780716

Structural Information

Molecular Formula
C18H15ClN3O3P
SMILES
CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC)C#N
InChI
InChI=1S/C18H15ClN3O3P/c1-10-5-11(9-20)7-13(6-10)26(24,25-2)17-14-8-12(19)3-4-15(14)22-16(17)18(21)23/h3-8,22H,1-2H3,(H2,21,23)
InChIKey
FSRWOJGPYXMULJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-cyano-5-methylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

387.05396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06124 192.7
[M+Na]+ 410.04318 204.7
[M-H]- 386.04668 195.7
[M+NH4]+ 405.08778 204.5
[M+K]+ 426.01712 196.7
[M+H-H2O]+ 370.05122 177.3
[M+HCOO]- 432.05216 209.9
[M+CH3COO]- 446.06781 227.7
[M+Na-2H]- 408.02863 190.6
[M]+ 387.05341 191.6
[M]- 387.05451 191.6
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