CID 492845

Schembl6642237

Structural Information

Molecular Formula
C15H17ClN4OS
SMILES
CC(C1=NC=C2C(=C1)C(CO2)(C)C)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C15H17ClN4OS/c1-8(22-14-19-12(16)5-13(17)20-14)10-4-9-11(6-18-10)21-7-15(9,2)3/h4-6,8H,7H2,1-3H3,(H2,17,19,20)
InChIKey
UFUJPHVJQOCISI-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.08115 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08843 174.5
[M+Na]+ 359.07037 185.7
[M-H]- 335.07387 179.2
[M+NH4]+ 354.11497 189.3
[M+K]+ 375.04431 180.7
[M+H-H2O]+ 319.07841 167.3
[M+HCOO]- 381.07935 183.1
[M+CH3COO]- 395.09500 185.5
[M+Na-2H]- 357.05582 175.7
[M]+ 336.08060 179.7
[M]- 336.08170 179.7
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.