CID 1207293

121734-80-3

Structural Information

Molecular Formula
C21H27NO
SMILES
C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)N[C@H](C)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)/t16-,17-/m1/s1
InChIKey
BLNIYEIMTLMHGY-IAGOWNOFSA-N
Compound name
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(1R)-1-phenylethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.9
[M+Na]+ 332.19848 181.7
[M-H]- 308.20198 184.5
[M+NH4]+ 327.24308 192.7
[M+K]+ 348.17242 178.1
[M+H-H2O]+ 292.20652 170.5
[M+HCOO]- 354.20746 198.3
[M+CH3COO]- 368.22311 213.0
[M+Na-2H]- 330.18393 177.9
[M]+ 309.20871 178.2
[M]- 309.20981 178.2
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.