CID 126970869

2-[(dibenzylcarbamoyl)amino]-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C18H20N2O4/c21-13-16(17(22)23)19-18(24)20(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,21H,11-13H2,(H,19,24)(H,22,23)
InChIKey
TZVMPRYEKWVAII-UHFFFAOYSA-N
Compound name
2-(dibenzylcarbamoylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 178.0
[M+Na]+ 351.13152 186.7
[M+NH4]+ 346.17612 183.2
[M+K]+ 367.10546 182.4
[M-H]- 327.13502 180.5
[M+Na-2H]- 349.11697 183.9
[M]+ 328.14175 179.5
[M]- 328.14285 179.5
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.