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

2
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 178.9
[M+Na]+ 332.198478 181.7
[M-H]- 308.201984 184.5
[M+NH4]+ 327.243083 192.7
[M+K]+ 348.172418 178.1
[M+H-H2O]+ 292.206520 170.5
[M+HCOO]- 354.207461 198.3
[M+CH3COO]- 368.223111 213.0
[M+Na-2H]- 330.183926 177.9
[M]+ 309.20871142 178.2
[M]- 309.20980858 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.