CID 9601278

N-cyclohexylmethylene-n'-(2,4-dinitro-phenyl)-hydrazine

Structural Information

Molecular Formula
C13H16N4O4
SMILES
C1CCC(CC1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H16N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h6-10,15H,1-5H2/b14-9+
InChIKey
NMXPJIFLUMFTAV-NTEUORMPSA-N
Compound name
N-[(E)-cyclohexylmethylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.11716 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.124436 163.4
[M+Na]+ 315.106378 164.6
[M-H]- 291.109884 169.8
[M+NH4]+ 310.150983 175.7
[M+K]+ 331.080318 154.4
[M+H-H2O]+ 275.114420 163.5
[M+HCOO]- 337.115361 188.4
[M+CH3COO]- 351.131011 196.7
[M+Na-2H]- 313.091826 171.0
[M]+ 292.11661142 155.7
[M]- 292.11770858 155.7
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.