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 211.4
[M+Na]+ 453.15332 218.2
[M-H]- 429.15682 216.7
[M+NH4]+ 448.19792 217.2
[M+K]+ 469.12726 206.1
[M+H-H2O]+ 413.16136 197.9
[M+HCOO]- 475.16230 225.0
[M+CH3COO]- 489.17795 235.4
[M+Na-2H]- 451.13877 211.6
[M]+ 430.16355 202.2
[M]- 430.16465 202.2
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.