CID 168150

Glycylbenzocaine

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN
InChI
InChI=1S/C11H14N2O3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7,12H2,1H3,(H,13,14)
InChIKey
GUXAWDGROAAJBL-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-aminoacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

222.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.4
[M+Na]+ 245.08967 155.1
[M-H]- 221.09317 152.5
[M+NH4]+ 240.13427 166.7
[M+K]+ 261.06361 153.7
[M+H-H2O]+ 205.09771 142.4
[M+HCOO]- 267.09865 173.7
[M+CH3COO]- 281.11430 192.6
[M+Na-2H]- 243.07512 152.8
[M]+ 222.09990 149.3
[M]- 222.10100 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe