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 144.2
[M+Na]+ 240.11072 150.0
[M-H]- 216.11422 152.2
[M+NH4]+ 235.15532 157.0
[M+K]+ 256.08466 147.3
[M+H-H2O]+ 200.11876 136.8
[M+HCOO]- 262.11970 170.0
[M+CH3COO]- 276.13535 200.5
[M+Na-2H]- 238.09617 148.6
[M]+ 217.12095 143.4
[M]- 217.12205 143.4
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.