CID 492822

2-[(4-amino-6-chloro-pyrimidin-2-yl)sulfanylmethyl]pyridine-4-carboxamide

Structural Information

Molecular Formula
C11H10ClN5OS
SMILES
C1=CN=C(C=C1C(=O)N)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H10ClN5OS/c12-8-4-9(13)17-11(16-8)19-5-7-3-6(10(14)18)1-2-15-7/h1-4H,5H2,(H2,14,18)(H2,13,16,17)
InChIKey
GVOICWGLISIQEI-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-chloropyrimidin-2-yl)sulfanylmethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.02945 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03673 161.7
[M+Na]+ 318.01867 171.5
[M-H]- 294.02217 164.2
[M+NH4]+ 313.06327 173.5
[M+K]+ 333.99261 164.6
[M+H-H2O]+ 278.02671 153.5
[M+HCOO]- 340.02765 173.5
[M+CH3COO]- 354.04330 172.2
[M+Na-2H]- 316.00412 164.0
[M]+ 295.02890 163.2
[M]- 295.03000 163.2
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.