CID 209458

Brn 2989142

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCCNC(C)C(=O)NC(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H30N2O/c1-3-14-20-15(2)19(22)21-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,15,17-18,20H,3,5,8-9,12-14H2,1-2H3,(H,21,22)
InChIKey
ZZISDDWBVDBVAA-UHFFFAOYSA-N
Compound name
N-[cyclohexyl(phenyl)methyl]-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 177.1
[M+Na]+ 325.22502 176.0
[M-H]- 301.22852 181.2
[M+NH4]+ 320.26962 190.3
[M+K]+ 341.19896 173.1
[M+H-H2O]+ 285.23306 168.3
[M+HCOO]- 347.23400 194.8
[M+CH3COO]- 361.24965 211.1
[M+Na-2H]- 323.21047 176.5
[M]+ 302.23525 170.9
[M]- 302.23635 170.9
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.