CID 15958990

Chembl3781242

Structural Information

Molecular Formula
C19H20ClN2O3P
SMILES
CC(C)C1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC
InChI
InChI=1S/C19H20ClN2O3P/c1-11(2)12-5-4-6-14(9-12)26(24,25-3)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h4-11,22H,1-3H3,(H2,21,23)
InChIKey
YKZROECIBWPDAX-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

390.09 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09728 191.6
[M+Na]+ 413.07922 200.1
[M-H]- 389.08272 196.0
[M+NH4]+ 408.12382 204.8
[M+K]+ 429.05316 194.3
[M+H-H2O]+ 373.08726 182.4
[M+HCOO]- 435.08820 211.3
[M+CH3COO]- 449.10385 220.8
[M+Na-2H]- 411.06467 189.1
[M]+ 390.08945 196.1
[M]- 390.09055 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