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

28937
Patents

205.13275 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.140026 145.8
[M+Na]+ 228.121968 149.6
[M-H]- 204.125474 150.4
[M+NH4]+ 223.166573 163.4
[M+K]+ 244.095908 148.2
[M+H-H2O]+ 188.130010 137.5
[M+HCOO]- 250.130951 174.5
[M+CH3COO]- 264.146601 200.9
[M+Na-2H]- 226.107416 150.3
[M]+ 205.13220142 140.1
[M]- 205.13329858 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

literature stripe

Patent stripe

patents stripe