CID 667941

Propanamide, 3-(cyclohexylamino)-n-(2,4,6-trimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H28N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CCNC2CCCCC2)C
InChI
InChI=1S/C18H28N2O/c1-13-11-14(2)18(15(3)12-13)20-17(21)9-10-19-16-7-5-4-6-8-16/h11-12,16,19H,4-10H2,1-3H3,(H,20,21)
InChIKey
CFLSNJWQWUMYHB-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 172.1
[M+Na]+ 311.209368 175.0
[M-H]- 287.212874 177.6
[M+NH4]+ 306.253973 187.2
[M+K]+ 327.183308 171.3
[M+H-H2O]+ 271.217410 164.0
[M+HCOO]- 333.218351 192.2
[M+CH3COO]- 347.234001 209.9
[M+Na-2H]- 309.194816 172.4
[M]+ 288.21960142 168.1
[M]- 288.22069858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.