CID 18073238

2-(chloromethyl)thieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H6ClN3S
SMILES
C1=CSC2=NC(=NC(=C21)N)CCl
InChI
InChI=1S/C7H6ClN3S/c8-3-5-10-6(9)4-1-2-12-7(4)11-5/h1-2H,3H2,(H2,9,10,11)
InChIKey
ZVSVLDLNMMGBOC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)thieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.9971 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.004376 135.5
[M+Na]+ 221.986318 148.6
[M-H]- 197.989824 138.3
[M+NH4]+ 217.030923 156.8
[M+K]+ 237.960258 143.3
[M+H-H2O]+ 181.994360 130.1
[M+HCOO]- 243.995301 151.0
[M+CH3COO]- 258.010951 149.8
[M+Na-2H]- 219.971766 140.6
[M]+ 198.99655142 140.1
[M]- 198.99764858 140.1
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.