CID 9499

N-(cyclohexylideneamino)-4-nitrobenzamide

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1CCC(=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC1
InChI
InChI=1S/C13H15N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h6-9H,1-5H2,(H,15,17)
InChIKey
KJWVNIDYPSXHBP-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 157.4
[M+Na]+ 284.10055 167.8
[M+NH4]+ 279.14515 164.8
[M+K]+ 300.07449 164.3
[M-H]- 260.10405 163.1
[M+Na-2H]- 282.08600 164.2
[M]+ 261.11078 160.0
[M]- 261.11188 160.0
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.