CID 209959

Benzamide, n-(benzylamidino)-, sulfate (2:1)

Structural Information

Molecular Formula
C15H15N3O
SMILES
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H15N3O/c16-15(17-11-12-7-3-1-4-8-12)18-14(19)13-9-5-2-6-10-13/h1-10H,11H2,(H3,16,17,18,19)
InChIKey
LKUIKHYCBHPKEQ-UHFFFAOYSA-N
Compound name
N-(N'-benzylcarbamimidoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 158.1
[M+Na]+ 276.110718 162.3
[M-H]- 252.114224 165.2
[M+NH4]+ 271.155323 173.9
[M+K]+ 292.084658 159.0
[M+H-H2O]+ 236.118760 149.4
[M+HCOO]- 298.119701 184.7
[M+CH3COO]- 312.135351 202.0
[M+Na-2H]- 274.096166 163.8
[M]+ 253.12095142 154.8
[M]- 253.12204858 154.8
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.