CID 4204103

312275-77-7

Structural Information

Molecular Formula
C26H28N4O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)N(C)C)C(=O)C1)C
InChI
InChI=1S/C26H28N4O/c1-26(2)14-21-24(22(31)15-26)23(17-10-12-18(13-11-17)29(3)4)20(16-27)25(28)30(21)19-8-6-5-7-9-19/h5-13,23H,14-15,28H2,1-4H3
InChIKey
AMDOUTFTXXPRRK-UHFFFAOYSA-N
Compound name
2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22632 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 204.7
[M+Na]+ 435.21554 218.3
[M+NH4]+ 430.26014 210.2
[M+K]+ 451.18948 204.7
[M-H]- 411.21904 204.7
[M+Na-2H]- 433.20099 210.2
[M]+ 412.22577 206.1
[M]- 412.22687 206.1
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.