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 166.9
[M+Na]+ 304.11688 175.2
[M+NH4]+ 299.16148 173.0
[M+K]+ 320.09082 170.2
[M-H]- 280.12038 172.6
[M+Na-2H]- 302.10233 174.1
[M]+ 281.12711 169.1
[M]- 281.12821 169.1
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.