CID 53002747

6,7-dimethoxy-n-phenyl-2-(piperidine-1-carbonyl)quinolin-4-amine

Structural Information

Molecular Formula
C23H25N3O3
SMILES
COC1=C(C=C2C(=C1)C(=CC(=N2)C(=O)N3CCCCC3)NC4=CC=CC=C4)OC
InChI
InChI=1S/C23H25N3O3/c1-28-21-13-17-18(24-16-9-5-3-6-10-16)14-20(25-19(17)15-22(21)29-2)23(27)26-11-7-4-8-12-26/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3,(H,24,25)
InChIKey
QIKSKYRGTMAAFR-UHFFFAOYSA-N
Compound name
(4-anilino-6,7-dimethoxyquinolin-2-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.1896 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.0
[M+Na]+ 414.17882 199.4
[M-H]- 390.18232 201.7
[M+NH4]+ 409.22342 203.3
[M+K]+ 430.15276 194.2
[M+H-H2O]+ 374.18686 182.7
[M+HCOO]- 436.18780 210.7
[M+CH3COO]- 450.20345 202.7
[M+Na-2H]- 412.16427 197.5
[M]+ 391.18905 193.3
[M]- 391.19015 193.3
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.