CID 16227498

2-(1-chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C10H12ClN3S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)C(C)Cl)C
InChI
InChI=1S/C10H12ClN3S/c1-4-6(3)15-10-7(4)8(12)13-9(14-10)5(2)11/h5H,1-3H3,(H2,12,13,14)
InChIKey
STFXLAYTLXETOD-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04405 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05133 150.0
[M+Na]+ 264.03327 163.0
[M-H]- 240.03677 153.1
[M+NH4]+ 259.07787 170.0
[M+K]+ 280.00721 157.5
[M+H-H2O]+ 224.04131 144.7
[M+HCOO]- 286.04225 163.2
[M+CH3COO]- 300.05790 163.5
[M+Na-2H]- 262.01872 151.1
[M]+ 241.04350 155.8
[M]- 241.04460 155.8
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.