CID 6525988

2h-isoindole-1-carboxaldehyde, 4,7-dihydro-5(or 6)-methyl-2-phenyl-, (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C22H19N5O4
SMILES
CC1=CCC2=C(N(C=C2C1)C3=CC=CC=C3)/C=N\NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C22H19N5O4/c1-15-7-9-19-16(11-15)14-25(17-5-3-2-4-6-17)22(19)13-23-24-20-10-8-18(26(28)29)12-21(20)27(30)31/h2-8,10,12-14,24H,9,11H2,1H3/b23-13-
InChIKey
JXXIULOJTZIHEZ-QRVIBDJDSA-N
Compound name
N-[(Z)-(5-methyl-2-phenyl-4,7-dihydroisoindol-1-yl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1437 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15098 199.6
[M+Na]+ 440.13292 213.5
[M+NH4]+ 435.17752 206.3
[M+K]+ 456.10686 212.0
[M-H]- 416.13642 209.0
[M+Na-2H]- 438.11837 207.2
[M]+ 417.14315 203.9
[M]- 417.14425 203.9
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.