CID 3067468

81587-36-2

Structural Information

Molecular Formula
C11H13N5S
SMILES
CC1=NC(=C(C=C1)S)NC2=NC(=NC(=C2)C)N
InChI
InChI=1S/C11H13N5S/c1-6-3-4-8(17)10(13-6)15-9-5-7(2)14-11(12)16-9/h3-5,17H,1-2H3,(H3,12,13,14,15,16)
InChIKey
PGPLPWPELYKDAP-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09645 154.9
[M+Na]+ 270.07839 165.5
[M-H]- 246.08189 158.4
[M+NH4]+ 265.12299 168.7
[M+K]+ 286.05233 159.6
[M+H-H2O]+ 230.08643 146.2
[M+HCOO]- 292.08737 172.5
[M+CH3COO]- 306.10302 166.6
[M+Na-2H]- 268.06384 158.7
[M]+ 247.08862 155.8
[M]- 247.08972 155.8
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.