CID 15958938

Chembl1650741

Structural Information

Molecular Formula

C₁₇H₁₇ClN₃O₂P

SMILES

CN(C)P(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C17H17ClN3O2P/c1-21(2)24(23,12-6-4-3-5-7-12)16-13-10-11(18)8-9-14(13)20-15(16)17(19)22/h3-10,20H,1-2H3,(H2,19,22)

InChIKey

WIBUXVATGVSBDW-UHFFFAOYSA-N

Compound name

5-chloro-3-[dimethylamino(phenyl)phosphoryl]-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 361.07468 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	362.08196	182.9
[M+Na]+	384.06390	191.2
[M-H]-	360.06740	188.6
[M+NH4]+	379.10850	197.5
[M+K]+	400.03784	185.8
[M+H-H2O]+	344.07194	173.3
[M+HCOO]-	406.07288	205.7
[M+CH3COO]-	420.08853	218.9
[M+Na-2H]-	382.04935	182.9
[M]+	361.07413	186.1
[M]-	361.07523	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe