CID 10449757

Sb-215505

Structural Information

Molecular Formula
C19H16ClN3O
SMILES
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CC=CC4=C3C=CC=N4
InChI
InChI=1S/C19H16ClN3O/c1-12-10-13-7-9-23(18(13)11-15(12)20)19(24)22-17-6-2-5-16-14(17)4-3-8-21-16/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKey
HOVMHIRTZYQSKM-UHFFFAOYSA-N
Compound name
6-chloro-5-methyl-N-quinolin-5-yl-2,3-dihydroindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

20
Patents

337.09818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10546 179.2
[M+Na]+ 360.08740 188.8
[M-H]- 336.09090 185.2
[M+NH4]+ 355.13200 194.7
[M+K]+ 376.06134 181.3
[M+H-H2O]+ 320.09544 170.2
[M+HCOO]- 382.09638 193.8
[M+CH3COO]- 396.11203 189.8
[M+Na-2H]- 358.07285 182.6
[M]+ 337.09763 181.0
[M]- 337.09873 181.0
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