CID 138109309

4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C7H6ClN3S
SMILES
CC1=CSC2=C1N=C(N=C2Cl)N
InChI
InChI=1S/C7H6ClN3S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3,(H2,9,10,11)
InChIKey
FWWFDHSNTIWYKG-UHFFFAOYSA-N
Compound name
4-chloro-7-methylthieno[3,2-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.9971 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.004376 136.0
[M+Na]+ 221.986318 150.0
[M-H]- 197.989824 139.2
[M+NH4]+ 217.030923 157.5
[M+K]+ 237.960258 144.6
[M+H-H2O]+ 181.994360 130.9
[M+HCOO]- 243.995301 151.4
[M+CH3COO]- 258.010951 150.6
[M+Na-2H]- 219.971766 140.4
[M]+ 198.99655142 141.0
[M]- 198.99764858 141.0
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.