CID 15958985

Schembl12229967

Structural Information

Molecular Formula
C22H20ClN2O4P
SMILES
CC1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4)OC
InChI
InChI=1S/C22H20ClN2O4P/c1-14-5-3-7-17(11-14)30(27,28-2)21-18-12-15(23)8-9-19(18)25-20(21)22(26)24-13-16-6-4-10-29-16/h3-12,25H,13H2,1-2H3,(H,24,26)
InChIKey
NJPMWXNIWZBVOD-UHFFFAOYSA-N
Compound name
5-chloro-N-(furan-2-ylmethyl)-3-[methoxy-(3-methylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

442.08493 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.09221 205.2
[M+Na]+ 465.07415 213.3
[M-H]- 441.07765 214.1
[M+NH4]+ 460.11875 216.5
[M+K]+ 481.04809 208.6
[M+H-H2O]+ 425.08219 195.3
[M+HCOO]- 487.08313 226.5
[M+CH3COO]- 501.09878 227.0
[M+Na-2H]- 463.05960 203.3
[M]+ 442.08438 212.0
[M]- 442.08548 212.0
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