CID 3560665

N-(benzoylglycyl)glycine amide

Structural Information

Molecular Formula
C11H13N3O3
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)N
InChI
InChI=1S/C11H13N3O3/c12-9(15)6-13-10(16)7-14-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)(H,14,17)
InChIKey
NIJAAPDQNKYFSU-UHFFFAOYSA-N
Compound name
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 152.1
[M+Na]+ 258.08491 156.0
[M-H]- 234.08841 154.8
[M+NH4]+ 253.12951 168.0
[M+K]+ 274.05885 154.6
[M+H-H2O]+ 218.09295 144.5
[M+HCOO]- 280.09389 176.7
[M+CH3COO]- 294.10954 196.8
[M+Na-2H]- 256.07036 155.4
[M]+ 235.09514 149.5
[M]- 235.09624 149.5
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

No patent data available for this compound.