CID 3920760

312265-63-7

Structural Information

Molecular Formula
C28H32N4O
SMILES
CCN(CC)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4)N)C#N
InChI
InChI=1S/C28H32N4O/c1-5-31(6-2)20-14-12-19(13-15-20)25-22(18-29)27(30)32(21-10-8-7-9-11-21)23-16-28(3,4)17-24(33)26(23)25/h7-15,25H,5-6,16-17,30H2,1-4H3
InChIKey
OERSRMWTXPNHJL-UHFFFAOYSA-N
Compound name
2-amino-4-[4-(diethylamino)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

440.2576 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.26488 212.7
[M+Na]+ 463.24682 225.9
[M+NH4]+ 458.29142 217.8
[M+K]+ 479.22076 211.8
[M-H]- 439.25032 212.6
[M+Na-2H]- 461.23227 217.7
[M]+ 440.25705 214.0
[M]- 440.25815 214.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.