CID 15958994

Schembl12230035

Structural Information

Molecular Formula
C23H19ClFN2O3P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4F
InChI
InChI=1S/C23H19ClFN2O3P/c1-30-31(29,17-8-3-2-4-9-17)22-18-13-16(24)11-12-20(18)27-21(22)23(28)26-14-15-7-5-6-10-19(15)25/h2-13,27H,14H2,1H3,(H,26,28)
InChIKey
JREBVPXWAGFXRF-UHFFFAOYSA-N
Compound name
5-chloro-N-[(2-fluorophenyl)methyl]-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

456.0806 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.08788 206.2
[M+Na]+ 479.06982 214.4
[M-H]- 455.07332 212.4
[M+NH4]+ 474.11442 216.2
[M+K]+ 495.04376 206.8
[M+H-H2O]+ 439.07786 193.8
[M+HCOO]- 501.07880 226.1
[M+CH3COO]- 515.09445 230.3
[M+Na-2H]- 477.05527 205.1
[M]+ 456.08005 209.7
[M]- 456.08115 209.7
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