CID 409876

1-(2-biphenylyl)biguanide, monohydrate

Structural Information

Molecular Formula
C14H15N5
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N=C(N)N=C(N)N
InChI
InChI=1S/C14H15N5/c15-13(16)19-14(17)18-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H6,15,16,17,18,19)
InChIKey
ZKDLRPJEMPSOJB-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-phenylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.13275 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 157.3
[M+Na]+ 276.12197 161.8
[M-H]- 252.12547 165.2
[M+NH4]+ 271.16657 172.9
[M+K]+ 292.09591 158.6
[M+H-H2O]+ 236.13001 148.2
[M+HCOO]- 298.13095 186.2
[M+CH3COO]- 312.14660 209.9
[M+Na-2H]- 274.10742 162.1
[M]+ 253.13220 151.2
[M]- 253.13330 151.2
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.