CID 16217031

N,n-dibenzyl-l-serine methyl ester

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC(=O)[C@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C18H21NO3/c1-22-18(21)17(14-20)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3/t17-/m0/s1
InChIKey
VAAGDABRDJFHHK-KRWDZBQOSA-N
Compound name
methyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

299.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.0
[M+Na]+ 322.14135 175.2
[M-H]- 298.14485 177.7
[M+NH4]+ 317.18595 185.8
[M+K]+ 338.11529 173.0
[M+H-H2O]+ 282.14939 163.2
[M+HCOO]- 344.15033 193.8
[M+CH3COO]- 358.16598 206.1
[M+Na-2H]- 320.12680 174.6
[M]+ 299.15158 173.3
[M]- 299.15268 173.3
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.