CID 419462

678997-25-6

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCCCCCCCN=C(C1=CC=C(C=C1)C(=O)OCC2CCCCC2)N
InChI
InChI=1S/C23H36N2O2/c1-2-3-4-5-6-10-17-25-22(24)20-13-15-21(16-14-20)23(26)27-18-19-11-8-7-9-12-19/h13-16,19H,2-12,17-18H2,1H3,(H2,24,25)
InChIKey
ZBQNDZWYSICVFN-UHFFFAOYSA-N
Compound name
cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

372.27768 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.284956 197.0
[M+Na]+ 395.266898 196.1
[M-H]- 371.270404 201.5
[M+NH4]+ 390.311503 208.1
[M+K]+ 411.240838 192.2
[M+H-H2O]+ 355.274940 187.0
[M+HCOO]- 417.275881 215.6
[M+CH3COO]- 431.291531 225.8
[M+Na-2H]- 393.252346 194.3
[M]+ 372.27713142 194.7
[M]- 372.27822858 194.7
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.