CID 6525981

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

Structural Information

Molecular Formula
C22H21N5O4
SMILES
CC1CCC2=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/C22H21N5O4/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/h2-6,8,10,12-15,24H,7,9,11H2,1H3/b23-13-
InChIKey
FPTICCNXNNPTHB-QRVIBDJDSA-N
Compound name
N-[(Z)-(5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindol-1-yl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.15936 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16664 200.1
[M+Na]+ 442.14858 213.1
[M+NH4]+ 437.19318 206.7
[M+K]+ 458.12252 211.9
[M-H]- 418.15208 209.2
[M+Na-2H]- 440.13403 206.9
[M]+ 419.15881 204.1
[M]- 419.15991 204.1
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.