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 216.4
[M+Na]+ 463.24682 225.1
[M-H]- 439.25032 223.1
[M+NH4]+ 458.29142 225.6
[M+K]+ 479.22076 215.4
[M+H-H2O]+ 423.25486 199.1
[M+HCOO]- 485.25580 229.7
[M+CH3COO]- 499.27145 222.3
[M+Na-2H]- 461.23227 214.0
[M]+ 440.25705 209.5
[M]- 440.25815 209.5
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.