CID 60846698

2-amino-n-[(benzylcarbamoyl)methyl]acetamide hydrochloride

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1=CC=C(C=C1)CNC(=O)CNC(=O)CN
InChI
InChI=1S/C11H15N3O2/c12-6-10(15)14-8-11(16)13-7-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,16)(H,14,15)
InChIKey
RMLANVRSNGOOGK-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(benzylamino)-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.11642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 149.8
[M+Na]+ 244.10564 153.8
[M-H]- 220.10914 152.5
[M+NH4]+ 239.15024 166.5
[M+K]+ 260.07958 151.9
[M+H-H2O]+ 204.11368 142.3
[M+HCOO]- 266.11462 175.0
[M+CH3COO]- 280.13027 194.5
[M+Na-2H]- 242.09109 154.3
[M]+ 221.11587 147.1
[M]- 221.11697 147.1
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

patents stripe