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 196.6
[M+Na]+ 440.13292 198.8
[M-H]- 416.13642 206.5
[M+NH4]+ 435.17752 205.0
[M+K]+ 456.10686 185.7
[M+H-H2O]+ 400.14096 193.9
[M+HCOO]- 462.14190 221.0
[M+CH3COO]- 476.15755 222.1
[M+Na-2H]- 438.11837 204.0
[M]+ 417.14315 192.5
[M]- 417.14425 192.5
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.