CID 15958973

Chembl3781697

Structural Information

Molecular Formula
C20H16ClN2O3P
SMILES
COP(=O)(C1=CC=CC2=CC=CC=C21)C3=C(NC4=C3C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C20H16ClN2O3P/c1-26-27(25,17-8-4-6-12-5-2-3-7-14(12)17)19-15-11-13(21)9-10-16(15)23-18(19)20(22)24/h2-11,23H,1H3,(H2,22,24)
InChIKey
CVRWUOMZMJDEAJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(naphthalen-1-yl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

398.05872 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06600 192.1
[M+Na]+ 421.04794 201.6
[M-H]- 397.05144 197.3
[M+NH4]+ 416.09254 205.7
[M+K]+ 437.02188 194.8
[M+H-H2O]+ 381.05598 182.3
[M+HCOO]- 443.05692 211.9
[M+CH3COO]- 457.07257 220.9
[M+Na-2H]- 419.03339 192.8
[M]+ 398.05817 196.1
[M]- 398.05927 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe