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 197.1
[M+Na]+ 442.14858 198.4
[M-H]- 418.15208 206.6
[M+NH4]+ 437.19318 205.3
[M+K]+ 458.12252 185.5
[M+H-H2O]+ 402.15662 194.5
[M+HCOO]- 464.15756 220.2
[M+CH3COO]- 478.17321 222.4
[M+Na-2H]- 440.13403 203.6
[M]+ 419.15881 191.6
[M]- 419.15991 191.6
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.