CID 3644637

Sb 242084

Structural Information

Molecular Formula
C21H19ClN4O2
SMILES
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C
InChI
InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
InChIKey
GIUZEIJUFOPTMR-UHFFFAOYSA-N
Compound name
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

214
References

54
Patents

394.11966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12694 193.6
[M+Na]+ 417.10888 209.6
[M+NH4]+ 412.15348 200.9
[M+K]+ 433.08282 202.8
[M-H]- 393.11238 199.1
[M+Na-2H]- 415.09433 202.0
[M]+ 394.11911 197.8
[M]- 394.12021 197.8
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