CID 24812808

Imeglimin

Structural Information

Molecular Formula
C6H13N5
SMILES
C[C@@H]1N=C(NC(=N1)N(C)C)N
InChI
InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1
InChIKey
GFICWFZTBXUVIG-SCSAIBSYSA-N
Compound name
(4R)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

82
References

600
Patents

155.1171 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.12438 133.2
[M+Na]+ 178.10632 143.6
[M+NH4]+ 173.15092 139.9
[M+K]+ 194.08026 139.5
[M-H]- 154.10982 134.0
[M+Na-2H]- 176.09177 138.4
[M]+ 155.11655 134.5
[M]- 155.11765 134.5
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