CID 353230

Nsc600800

Structural Information

Molecular Formula
C22H22ClN3O2
SMILES
CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
InChI
InChI=1S/C22H22ClN3O2/c1-14-7-10-26(11-8-14)22(28)18-13-16(3-5-21(18)27)25-19-6-9-24-20-12-15(23)2-4-17(19)20/h2-6,9,12-14,27H,7-8,10-11H2,1H3,(H,24,25)
InChIKey
GXECQAGLPLEPHY-UHFFFAOYSA-N
Compound name
[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]-(4-methylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.14005 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14733 194.5
[M+Na]+ 418.12927 200.9
[M-H]- 394.13277 200.2
[M+NH4]+ 413.17387 203.4
[M+K]+ 434.10321 193.2
[M+H-H2O]+ 378.13731 183.7
[M+HCOO]- 440.13825 204.5
[M+CH3COO]- 454.15390 202.2
[M+Na-2H]- 416.11472 195.8
[M]+ 395.13950 192.4
[M]- 395.14060 192.4
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

No patent data available for this compound.