CID 2728935

Brn 5567415

Structural Information

Molecular Formula
C10H12N6S
SMILES
CC1=NC(=C(C=C1)S)NC2=NC(=NC(=C2)N)N
InChI
InChI=1S/C10H12N6S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H5,11,12,13,14,15,16)
InChIKey
KVXYRSBKCWQAQT-UHFFFAOYSA-N
Compound name
2-[(2,6-diaminopyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.08441 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09169 154.0
[M+Na]+ 271.07363 164.2
[M-H]- 247.07713 157.1
[M+NH4]+ 266.11823 167.1
[M+K]+ 287.04757 158.0
[M+H-H2O]+ 231.08167 145.2
[M+HCOO]- 293.08261 172.3
[M+CH3COO]- 307.09826 165.4
[M+Na-2H]- 269.05908 158.1
[M]+ 248.08386 152.9
[M]- 248.08496 152.9
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.