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]+ 262.118606 156.0
[M+Na]+ 284.100548 158.2
[M-H]- 260.104054 162.8
[M+NH4]+ 279.145153 170.9
[M+K]+ 300.074488 152.2
[M+H-H2O]+ 244.108590 152.2
[M+HCOO]- 306.109531 180.5
[M+CH3COO]- 320.125181 194.5
[M+Na-2H]- 282.085996 162.1
[M]+ 261.11078142 149.3
[M]- 261.11187858 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.