CID 135538421

2-(2,4-dimethylphenyl)-4-{[2-(4-nitrophenyl)hydrazin-1-yl]methylidene}-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C24H20N4O4
SMILES
CC1=CC(=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)/C=N/NC4=CC=C(C=C4)[N+](=O)[O-])O)C
InChI
InChI=1S/C24H20N4O4/c1-15-7-12-22(16(2)13-15)27-23(29)20-6-4-3-5-19(20)21(24(27)30)14-25-26-17-8-10-18(11-9-17)28(31)32/h3-14,26,30H,1-2H3/b25-14+
InChIKey
VPFJZMBNHFBNIS-AFUMVMLFSA-N
Compound name
2-(2,4-dimethylphenyl)-3-hydroxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14847 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15575 202.5
[M+Na]+ 451.13769 219.3
[M+NH4]+ 446.18229 208.9
[M+K]+ 467.11163 212.9
[M-H]- 427.14119 211.3
[M+Na-2H]- 449.12314 211.7
[M]+ 428.14792 207.3
[M]- 428.14902 207.3
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.