CID 7154461

1,1-benzylphenylbiguanide hydrochloride

Structural Information

Molecular Formula
C15H18N5
SMILES
C1=CC=C(C=C1)C[N+](=C(N)N=C(N)N)C2=CC=CC=C2
InChI
InChI=1S/C15H17N5/c16-14(17)19-15(18)20(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H5,16,17,18,19)/p+1
InChIKey
AIYRFHLCZAXHFA-UHFFFAOYSA-O
Compound name
[amino-(diaminomethylideneamino)methylidene]-benzyl-phenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15622 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16350 160.9
[M+Na]+ 291.14544 163.3
[M-H]- 267.14894 168.4
[M+NH4]+ 286.19004 175.1
[M+K]+ 307.11938 155.1
[M+H-H2O]+ 251.15348 154.3
[M+HCOO]- 313.15442 188.1
[M+CH3COO]- 327.17007 205.0
[M+Na-2H]- 289.13089 167.0
[M]+ 268.15567 153.0
[M]- 268.15677 153.0
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.