CID 6451745

Ns00056855

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCCCCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-23(25)22(24)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20,24H2,1H3/t22-/m0/s1
InChIKey
FVXQYYLHULJDTO-QFIPXVFZSA-N
Compound name
tetradecyl (2S)-2-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

361.29807 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.305346 199.0
[M+Na]+ 384.287288 199.1
[M-H]- 360.290794 199.3
[M+NH4]+ 379.331893 210.7
[M+K]+ 400.261228 194.8
[M+H-H2O]+ 344.295330 190.0
[M+HCOO]- 406.296271 217.8
[M+CH3COO]- 420.311921 221.6
[M+Na-2H]- 382.272736 196.2
[M]+ 361.29752142 202.9
[M]- 361.29861858 202.9
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

patents stripe