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]+ 191.10398 144.4
[M+Na]+ 213.08592 156.2
[M-H]- 189.08942 144.1
[M+NH4]+ 208.13052 159.6
[M+K]+ 229.05986 151.7
[M+H-H2O]+ 173.09396 136.0
[M+HCOO]- 235.09490 164.6
[M+CH3COO]- 249.11055 156.6
[M+Na-2H]- 211.07137 152.2
[M]+ 190.09615 143.1
[M]- 190.09725 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.