CID 2446573

4-chloro-2-methyl-5-(thiophen-2-yl)thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C11H7ClN2S2
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)Cl
InChI
InChI=1S/C11H7ClN2S2/c1-6-13-10(12)9-7(5-16-11(9)14-6)8-3-2-4-15-8/h2-5H,1H3
InChIKey
ZUAGGEDCVROTRG-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.9739 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98118 153.9
[M+Na]+ 288.96312 169.4
[M-H]- 264.96662 161.3
[M+NH4]+ 284.00772 175.5
[M+K]+ 304.93706 163.2
[M+H-H2O]+ 248.97116 149.5
[M+HCOO]- 310.97210 165.0
[M+CH3COO]- 324.98775 168.3
[M+Na-2H]- 286.94857 153.9
[M]+ 265.97335 161.9
[M]- 265.97445 161.9
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