CID 15959003

Schembl12229904

Structural Information

Molecular Formula
C24H22ClN2O4P
SMILES
COP(=O)(C1=CC=CC(=C1)COCC2=CC=CC=C2)C3=C(NC4=C3C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C24H22ClN2O4P/c1-30-32(29,23-20-13-18(25)10-11-21(20)27-22(23)24(26)28)19-9-5-8-17(12-19)15-31-14-16-6-3-2-4-7-16/h2-13,27H,14-15H2,1H3,(H2,26,28)
InChIKey
UBSPTROBKRILMW-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-[3-(phenylmethoxymethyl)phenyl]phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

468.1006 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.10788 210.6
[M+Na]+ 491.08982 217.8
[M-H]- 467.09332 217.6
[M+NH4]+ 486.13442 219.7
[M+K]+ 507.06376 211.2
[M+H-H2O]+ 451.09786 198.9
[M+HCOO]- 513.09880 230.7
[M+CH3COO]- 527.11445 233.0
[M+Na-2H]- 489.07527 209.0
[M]+ 468.10005 215.8
[M]- 468.10115 215.8
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