CID 67096018

(2s,5r)-n-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C19H28N2O2
SMILES
C[C@@H]1CC[C@H](C(C1)C(=O)NC2=CC=C(C=C2)CC(=O)N)C(C)C
InChI
InChI=1S/C19H28N2O2/c1-12(2)16-9-4-13(3)10-17(16)19(23)21-15-7-5-14(6-8-15)11-18(20)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H2,20,22)(H,21,23)/t13-,16+,17?/m1/s1
InChIKey
RLYVZCMMEXADQB-WBTZKQGOSA-N
Compound name
trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

33
Patents

316.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 179.3
[M+Na]+ 339.204318 181.4
[M-H]- 315.207824 184.2
[M+NH4]+ 334.248923 192.6
[M+K]+ 355.178258 178.3
[M+H-H2O]+ 299.212360 171.2
[M+HCOO]- 361.213301 196.8
[M+CH3COO]- 375.228951 215.6
[M+Na-2H]- 337.189766 175.7
[M]+ 316.21455142 174.1
[M]- 316.21564858 174.1
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

patents stripe