CID 28366084

N-[4-(aminomethyl)phenyl]-4-butylcyclohexane-1-carboxamide

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCCC1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN
InChI
InChI=1S/C18H28N2O/c1-2-3-4-14-5-9-16(10-6-14)18(21)20-17-11-7-15(13-19)8-12-17/h7-8,11-12,14,16H,2-6,9-10,13,19H2,1H3,(H,20,21)
InChIKey
DHULKCMALPIPFH-UHFFFAOYSA-N
Compound name
N-[4-(aminomethyl)phenyl]-4-butylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 172.4
[M+Na]+ 311.20937 174.4
[M-H]- 287.21287 177.0
[M+NH4]+ 306.25397 186.9
[M+K]+ 327.18331 170.2
[M+H-H2O]+ 271.21741 164.1
[M+HCOO]- 333.21835 191.9
[M+CH3COO]- 347.23400 208.1
[M+Na-2H]- 309.19482 172.4
[M]+ 288.21960 167.0
[M]- 288.22070 167.0
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.