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]+ 289.22743 172.1
[M+Na]+ 311.20937 175.0
[M-H]- 287.21287 177.6
[M+NH4]+ 306.25397 187.2
[M+K]+ 327.18331 171.3
[M+H-H2O]+ 271.21741 164.0
[M+HCOO]- 333.21835 192.2
[M+CH3COO]- 347.23400 209.9
[M+Na-2H]- 309.19482 172.4
[M]+ 288.21960 168.1
[M]- 288.22070 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.