CID 8249

Phenformin

Structural Information

Molecular Formula
C10H15N5
SMILES
C1=CC=C(C=C1)CCN=C(N)N=C(N)N
InChI
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChIKey
ICFJFFQQTFMIBG-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1716
References

28833
Patents

205.13275 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.14003 145.8
[M+Na]+ 228.12197 149.6
[M-H]- 204.12547 150.4
[M+NH4]+ 223.16657 163.4
[M+K]+ 244.09591 148.2
[M+H-H2O]+ 188.13001 137.5
[M+HCOO]- 250.13095 174.5
[M+CH3COO]- 264.14660 200.9
[M+Na-2H]- 226.10742 150.3
[M]+ 205.13220 140.1
[M]- 205.13330 140.1
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.