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 209.1
[M+Na]+ 435.21554 218.7
[M-H]- 411.21904 216.2
[M+NH4]+ 430.26014 219.4
[M+K]+ 451.18948 209.2
[M+H-H2O]+ 395.22358 192.1
[M+HCOO]- 457.22452 223.1
[M+CH3COO]- 471.24017 215.8
[M+Na-2H]- 433.20099 207.6
[M]+ 412.22577 201.6
[M]- 412.22687 201.6
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.