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]+ 329.149576 177.1
[M+Na]+ 351.131518 178.8
[M-H]- 327.135024 181.4
[M+NH4]+ 346.176123 188.4
[M+K]+ 367.105458 176.7
[M+H-H2O]+ 311.139560 168.2
[M+HCOO]- 373.140501 197.9
[M+CH3COO]- 387.156151 210.6
[M+Na-2H]- 349.116966 178.7
[M]+ 328.14175142 175.9
[M]- 328.14284858 175.9
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

No patent data available for this compound.