CID 596019

4-amidinobenzamide hydrochloride

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC(=CC=C1C(=N)N)C(=O)N
InChI
InChI=1S/C8H9N3O/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H2,11,12)
InChIKey
HKMIWYWBIYCXFQ-UHFFFAOYSA-N
Compound name
4-carbamimidoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

557
Patents

163.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 133.6
[M+Na]+ 186.06377 139.9
[M-H]- 162.06727 136.7
[M+NH4]+ 181.10837 152.6
[M+K]+ 202.03771 137.7
[M+H-H2O]+ 146.07181 127.3
[M+HCOO]- 208.07275 158.9
[M+CH3COO]- 222.08840 185.2
[M+Na-2H]- 184.04922 137.8
[M]+ 163.07400 128.0
[M]- 163.07510 128.0
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

patents stripe