CID 492823

[2-[(4-amino-6-chloro-pyrimidin-2-yl)sulfanylmethyl]-4-pyridyl]methanol

Structural Information

Molecular Formula
C11H11ClN4OS
SMILES
C1=CN=C(C=C1CO)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H11ClN4OS/c12-9-4-10(13)16-11(15-9)18-6-8-3-7(5-17)1-2-14-8/h1-4,17H,5-6H2,(H2,13,15,16)
InChIKey
SPDVQGSLTXFJPI-UHFFFAOYSA-N
Compound name
[2-[(4-amino-6-chloropyrimidin-2-yl)sulfanylmethyl]pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.0342 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04148 158.0
[M+Na]+ 305.02342 168.4
[M-H]- 281.02692 159.6
[M+NH4]+ 300.06802 170.5
[M+K]+ 320.99736 161.1
[M+H-H2O]+ 265.03146 150.1
[M+HCOO]- 327.03240 168.8
[M+CH3COO]- 341.04805 168.8
[M+Na-2H]- 303.00887 161.3
[M]+ 282.03365 160.6
[M]- 282.03475 160.6
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.