CID 55283246

4-chlorothieno[2,3-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C6H4ClN3S
SMILES
C1=CSC2=C1C(=NC(=N2)N)Cl
InChI
InChI=1S/C6H4ClN3S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H2,8,9,10)
InChIKey
BVNPVJNODGJRKH-UHFFFAOYSA-N
Compound name
4-chlorothieno[2,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.98145 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.98873 131.0
[M+Na]+ 207.97067 144.6
[M-H]- 183.97417 134.0
[M+NH4]+ 203.01527 152.8
[M+K]+ 223.94461 139.5
[M+H-H2O]+ 167.97871 125.8
[M+HCOO]- 229.97965 146.8
[M+CH3COO]- 243.99530 145.8
[M+Na-2H]- 205.95612 136.6
[M]+ 184.98090 135.3
[M]- 184.98200 135.3
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