CID 3071034

Dl-2-phenylglycine hexadecyl ester hydrochloride

Structural Information

Molecular Formula
C24H41NO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-24(26)23(25)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21,25H2,1H3
InChIKey
SIKOYVCLFWYXQX-UHFFFAOYSA-N
Compound name
hexadecyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.31372 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.32100 203.4
[M+Na]+ 398.30294 203.1
[M-H]- 374.30644 203.5
[M+NH4]+ 393.34754 214.5
[M+K]+ 414.27688 198.5
[M+H-H2O]+ 358.31098 194.2
[M+HCOO]- 420.31192 221.8
[M+CH3COO]- 434.32757 224.6
[M+Na-2H]- 396.28839 200.1
[M]+ 375.31317 207.7
[M]- 375.31427 207.7
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.