CID 15958976

Schembl12230025

Structural Information

Molecular Formula
C21H18ClN2O4P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4
InChI
InChI=1S/C21H18ClN2O4P/c1-27-29(26,16-7-3-2-4-8-16)20-17-12-14(22)9-10-18(17)24-19(20)21(25)23-13-15-6-5-11-28-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKey
FDNTVPSYFGRDMY-UHFFFAOYSA-N
Compound name
5-chloro-N-(furan-2-ylmethyl)-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

428.06927 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07655 199.9
[M+Na]+ 451.05849 207.7
[M-H]- 427.06199 208.6
[M+NH4]+ 446.10309 211.5
[M+K]+ 467.03243 203.0
[M+H-H2O]+ 411.06653 189.9
[M+HCOO]- 473.06747 221.6
[M+CH3COO]- 487.08312 222.9
[M+Na-2H]- 449.04394 199.2
[M]+ 428.06872 206.0
[M]- 428.06982 206.0
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