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]+ 218.128776 144.2
[M+Na]+ 240.110718 150.0
[M-H]- 216.114224 152.2
[M+NH4]+ 235.155323 157.0
[M+K]+ 256.084658 147.3
[M+H-H2O]+ 200.118760 136.8
[M+HCOO]- 262.119701 170.0
[M+CH3COO]- 276.135351 200.5
[M+Na-2H]- 238.096166 148.6
[M]+ 217.12095142 143.4
[M]- 217.12204858 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.