CID 130051347

4-chloro-2-cyclopropyl-7-methylthieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
CC1=CSC2=C1N=C(N=C2Cl)C3CC3
InChI
InChI=1S/C10H9ClN2S/c1-5-4-14-8-7(5)12-10(6-2-3-6)13-9(8)11/h4,6H,2-3H2,1H3
InChIKey
ACCYREYYHDHMKR-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-7-methylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.0175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.024776 143.5
[M+Na]+ 247.006718 158.2
[M-H]- 223.010224 150.1
[M+NH4]+ 242.051323 159.4
[M+K]+ 262.980658 151.8
[M+H-H2O]+ 207.014760 137.2
[M+HCOO]- 269.015701 158.1
[M+CH3COO]- 283.031351 157.4
[M+Na-2H]- 244.992166 146.8
[M]+ 224.01695142 151.5
[M]- 224.01804858 151.5
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

patents stripe