CID 3426651

2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C24H24N4O2
SMILES
CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=CC=C4OC)C(=O)C1)C
InChI
InChI=1S/C24H24N4O2/c1-24(2)11-18-22(19(29)12-24)21(16-8-4-5-9-20(16)30-3)17(13-25)23(26)28(18)15-7-6-10-27-14-15/h4-10,14,21H,11-12,26H2,1-3H3
InChIKey
HSGKSHNJOJLCLM-UHFFFAOYSA-N
Compound name
2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

400.1899 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 202.4
[M+Na]+ 423.17912 213.1
[M-H]- 399.18262 207.4
[M+NH4]+ 418.22372 211.6
[M+K]+ 439.15306 203.4
[M+H-H2O]+ 383.18716 184.9
[M+HCOO]- 445.18810 214.6
[M+CH3COO]- 459.20375 209.2
[M+Na-2H]- 421.16457 202.4
[M]+ 400.18935 195.6
[M]- 400.19045 195.6
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.