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
(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

38
Patents

316.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 179.3
[M+Na]+ 339.20432 181.4
[M-H]- 315.20782 184.2
[M+NH4]+ 334.24892 192.6
[M+K]+ 355.17826 178.3
[M+H-H2O]+ 299.21236 171.2
[M+HCOO]- 361.21330 196.8
[M+CH3COO]- 375.22895 215.6
[M+Na-2H]- 337.18977 175.7
[M]+ 316.21455 174.1
[M]- 316.21565 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