CID 15566789

Methyl 2-(cyclohexylamino)-5-nitrobenzoate

Structural Information

Molecular Formula
C14H18N2O4
SMILES
COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2
InChI
InChI=1S/C14H18N2O4/c1-20-14(17)12-9-11(16(18)19)7-8-13(12)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKey
NHNFUZCKCYJLCS-UHFFFAOYSA-N
Compound name
methyl 2-(cyclohexylamino)-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 161.8
[M+Na]+ 301.11587 164.5
[M-H]- 277.11937 167.5
[M+NH4]+ 296.16047 176.0
[M+K]+ 317.08981 158.6
[M+H-H2O]+ 261.12391 158.4
[M+HCOO]- 323.12485 183.5
[M+CH3COO]- 337.14050 194.9
[M+Na-2H]- 299.10132 165.9
[M]+ 278.12610 156.9
[M]- 278.12720 156.9
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.