CID 3273256

311328-88-8

Structural Information

Molecular Formula
C24H22N4O4
SMILES
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N
InChI
InChI=1S/C24H22N4O4/c1-2-32-18-11-9-15(10-12-18)22-19(14-25)24(26)27(20-7-4-8-21(29)23(20)22)16-5-3-6-17(13-16)28(30)31/h3,5-6,9-13,22H,2,4,7-8,26H2,1H3
InChIKey
NLNXCPNYQDSFDF-UHFFFAOYSA-N
Compound name
2-amino-4-(4-ethoxyphenyl)-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

430.1641 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17138 206.2
[M+Na]+ 453.15332 219.7
[M+NH4]+ 448.19792 209.2
[M+K]+ 469.12726 210.8
[M-H]- 429.15682 205.8
[M+Na-2H]- 451.13877 209.3
[M]+ 430.16355 207.1
[M]- 430.16465 207.1
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.