CID 74023

2,4-diamino-6,7-dimethylpteridine

Structural Information

Molecular Formula
C8H10N6
SMILES
CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)C
InChI
InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
InChIKey
NBGMCAGDMQPEBF-UHFFFAOYSA-N
Compound name
6,7-dimethylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

17
Patents

190.0967 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 144.4
[M+Na]+ 213.085918 156.2
[M-H]- 189.089424 144.1
[M+NH4]+ 208.130523 159.6
[M+K]+ 229.059858 151.7
[M+H-H2O]+ 173.093960 136.0
[M+HCOO]- 235.094901 164.6
[M+CH3COO]- 249.110551 156.6
[M+Na-2H]- 211.071366 152.2
[M]+ 190.09615142 143.1
[M]- 190.09724858 143.1
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