CID 54594589

N-(carbamimidoylmethyl)-n-cyclopropylbenzamide hydrochloride

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC1N(CC(=N)N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O/c13-11(14)8-15(10-6-7-10)12(16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,13,14)
InChIKey
OGHVPIDJPLUMNY-UHFFFAOYSA-N
Compound name
N-(2-amino-2-iminoethyl)-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 149.4
[M+Na]+ 240.11072 159.5
[M+NH4]+ 235.15532 157.3
[M+K]+ 256.08466 156.2
[M-H]- 216.11422 160.2
[M+Na-2H]- 238.09617 158.4
[M]+ 217.12095 154.6
[M]- 217.12205 154.6
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.