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]+ 420.166636 197.1
[M+Na]+ 442.148578 198.4
[M-H]- 418.152084 206.6
[M+NH4]+ 437.193183 205.3
[M+K]+ 458.122518 185.5
[M+H-H2O]+ 402.156620 194.5
[M+HCOO]- 464.157561 220.2
[M+CH3COO]- 478.173211 222.4
[M+Na-2H]- 440.134026 203.6
[M]+ 419.15881142 191.6
[M]- 419.15990858 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.