CID 59424423

4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde

Structural Information

Molecular Formula
C7H3ClN2OS
SMILES
C1=C(SC2=C1N=CN=C2Cl)C=O
InChI
InChI=1S/C7H3ClN2OS/c8-7-6-5(9-3-10-7)1-4(2-11)12-6/h1-3H
InChIKey
AIKAEOONESRENG-UHFFFAOYSA-N
Compound name
4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

197.96545 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.972726 134.1
[M+Na]+ 220.954668 148.2
[M-H]- 196.958174 137.6
[M+NH4]+ 215.999273 155.8
[M+K]+ 236.928608 143.4
[M+H-H2O]+ 180.962710 128.9
[M+HCOO]- 242.963651 149.6
[M+CH3COO]- 256.979301 149.1
[M+Na-2H]- 218.940116 139.6
[M]+ 197.96490142 141.0
[M]- 197.96599858 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

patents stripe