CID 15959040

5-chloro-3-[(3-cyano-5-fluoro-phenyl)-methoxy-phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C17H12ClFN3O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)F)C#N)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H12ClFN3O3P/c1-25-26(24,12-5-9(8-20)4-11(19)7-12)16-13-6-10(18)2-3-14(13)22-15(16)17(21)23/h2-7,22H,1H3,(H2,21,23)
InChIKey
HDTPUQHQRVOSSQ-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-cyano-5-fluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.02887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03615 189.0
[M+Na]+ 414.01809 201.3
[M-H]- 390.02159 190.8
[M+NH4]+ 409.06269 200.5
[M+K]+ 429.99203 193.2
[M+H-H2O]+ 374.02613 172.8
[M+HCOO]- 436.02707 205.6
[M+CH3COO]- 450.04272 227.4
[M+Na-2H]- 412.00354 187.0
[M]+ 391.02832 186.6
[M]- 391.02942 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.