CID 52326

1-(p-benzoylphenyl)biguanide hydrochloride

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N
InChI
InChI=1S/C15H15N5O/c16-14(17)20-15(18)19-12-8-6-11(7-9-12)13(21)10-4-2-1-3-5-10/h1-9H,(H6,16,17,18,19,20)
InChIKey
JHNLHGSIOPYRBJ-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 164.9
[M+Na]+ 304.11688 168.8
[M-H]- 280.12038 172.7
[M+NH4]+ 299.16148 179.1
[M+K]+ 320.09082 166.1
[M+H-H2O]+ 264.12492 155.5
[M+HCOO]- 326.12586 192.9
[M+CH3COO]- 340.14151 215.3
[M+Na-2H]- 302.10233 167.9
[M]+ 281.12711 159.2
[M]- 281.12821 159.2
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.