CID 349047

3335-68-0

Structural Information

Molecular Formula
C13H16N4O4
SMILES
C1CCC(CC1)C=NNC2=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
InChIKey
NMXPJIFLUMFTAV-UHFFFAOYSA-N
Compound name
N-(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]+ 293.12444 167.0
[M+Na]+ 315.10638 177.8
[M+NH4]+ 310.15098 173.9
[M+K]+ 331.08032 176.5
[M-H]- 291.10988 173.9
[M+Na-2H]- 313.09183 172.8
[M]+ 292.11661 170.0
[M]- 292.11771 170.0
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.