CID 4746709

1,1-diphenylbiguanide hydrochloride

Structural Information

Molecular Formula
C14H16N5
SMILES
C1=CC=C(C=C1)[N+](=C(N)N=C(N)N)C2=CC=CC=C2
InChI
InChI=1S/C14H15N5/c15-13(16)18-14(17)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H5,15,16,17,18)/p+1
InChIKey
YCSQZLPVAFDPDM-UHFFFAOYSA-O
Compound name
[amino-(diaminomethylideneamino)methylidene]-diphenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.14056 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14784 156.4
[M+Na]+ 277.12978 159.3
[M-H]- 253.13328 164.1
[M+NH4]+ 272.17438 171.2
[M+K]+ 293.10372 151.2
[M+H-H2O]+ 237.13782 150.0
[M+HCOO]- 299.13876 183.9
[M+CH3COO]- 313.15441 202.0
[M+Na-2H]- 275.11523 163.0
[M]+ 254.14001 148.2
[M]- 254.14111 148.2
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.