CID 15958988

Schembl12230026

Structural Information

Molecular Formula
C22H20ClN2O5P
SMILES
COC1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4)OC
InChI
InChI=1S/C22H20ClN2O5P/c1-28-15-5-3-7-17(12-15)31(27,29-2)21-18-11-14(23)8-9-19(18)25-20(21)22(26)24-13-16-6-4-10-30-16/h3-12,25H,13H2,1-2H3,(H,24,26)
InChIKey
RGKDXNMPPMURHU-UHFFFAOYSA-N
Compound name
5-chloro-N-(furan-2-ylmethyl)-3-[methoxy-(3-methoxyphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

458.07983 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08711 206.7
[M+Na]+ 481.06905 214.5
[M-H]- 457.07255 215.7
[M+NH4]+ 476.11365 217.3
[M+K]+ 497.04299 210.7
[M+H-H2O]+ 441.07709 196.8
[M+HCOO]- 503.07803 228.3
[M+CH3COO]- 517.09368 229.2
[M+Na-2H]- 479.05450 205.4
[M]+ 458.07928 214.9
[M]- 458.08038 214.9
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