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

3
Patents

224.0175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 143.5
[M+Na]+ 247.00672 158.2
[M-H]- 223.01022 150.1
[M+NH4]+ 242.05132 159.4
[M+K]+ 262.98066 151.8
[M+H-H2O]+ 207.01476 137.2
[M+HCOO]- 269.01570 158.1
[M+CH3COO]- 283.03135 157.4
[M+Na-2H]- 244.99217 146.8
[M]+ 224.01695 151.5
[M]- 224.01805 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