CID 3067471

81587-40-8

Structural Information

Molecular Formula
C10H10ClN5S
SMILES
CC1=NC(=C(C=C1)S)NC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H10ClN5S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKey
YKCQIBMPZWYMNV-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03455 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04183 155.9
[M+Na]+ 290.02377 167.4
[M-H]- 266.02727 159.3
[M+NH4]+ 285.06837 169.7
[M+K]+ 305.99771 160.4
[M+H-H2O]+ 250.03181 148.0
[M+HCOO]- 312.03275 169.2
[M+CH3COO]- 326.04840 167.6
[M+Na-2H]- 288.00922 159.7
[M]+ 267.03400 158.3
[M]- 267.03510 158.3
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.