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]+ 289.227426 172.4
[M+Na]+ 311.209368 174.4
[M-H]- 287.212874 177.0
[M+NH4]+ 306.253973 186.9
[M+K]+ 327.183308 170.2
[M+H-H2O]+ 271.217410 164.1
[M+HCOO]- 333.218351 191.9
[M+CH3COO]- 347.234001 208.1
[M+Na-2H]- 309.194816 172.4
[M]+ 288.21960142 167.0
[M]- 288.22069858 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.