CID 4560769

311328-90-2

Structural Information

Molecular Formula
C24H22N4O3
SMILES
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N
InChI
InChI=1S/C24H22N4O3/c1-2-15-9-11-16(12-10-15)22-19(14-25)24(26)27(20-7-4-8-21(29)23(20)22)17-5-3-6-18(13-17)28(30)31/h3,5-6,9-13,22H,2,4,7-8,26H2,1H3
InChIKey
WESMWQVMYHWYDF-UHFFFAOYSA-N
Compound name
2-amino-4-(4-ethylphenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 203.7
[M+Na]+ 437.15842 217.7
[M+NH4]+ 432.20302 207.2
[M+K]+ 453.13236 208.2
[M-H]- 413.16192 203.7
[M+Na-2H]- 435.14387 207.1
[M]+ 414.16865 204.8
[M]- 414.16975 204.8
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.