CID 71529246

1423719-34-9

Structural Information

Molecular Formula
C11H14ClN3OS
SMILES
C1CC(C1)(CO)NC2=NC(=NC3=C2SCC3)Cl
InChI
InChI=1S/C11H14ClN3OS/c12-10-13-7-2-5-17-8(7)9(14-10)15-11(6-16)3-1-4-11/h16H,1-6H2,(H,13,14,15)
InChIKey
NTENTDTULMTIKA-UHFFFAOYSA-N
Compound name
[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

271.0546 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06188 149.4
[M+Na]+ 294.04382 156.4
[M-H]- 270.04732 152.5
[M+NH4]+ 289.08842 161.9
[M+K]+ 310.01776 154.2
[M+H-H2O]+ 254.05186 138.1
[M+HCOO]- 316.05280 158.5
[M+CH3COO]- 330.06845 160.1
[M+Na-2H]- 292.02927 152.6
[M]+ 271.05405 159.1
[M]- 271.05515 159.1
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