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 156.0
[M+Na]+ 284.10055 158.2
[M-H]- 260.10405 162.8
[M+NH4]+ 279.14515 170.9
[M+K]+ 300.07449 152.2
[M+H-H2O]+ 244.10859 152.2
[M+HCOO]- 306.10953 180.5
[M+CH3COO]- 320.12518 194.5
[M+Na-2H]- 282.08600 162.1
[M]+ 261.11078 149.3
[M]- 261.11188 149.3
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.