CID 492846

Schembl6640026

Structural Information

Molecular Formula
C15H15ClN4OS
SMILES
CCC1=COC2=CN=C(C=C21)C(C)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C15H15ClN4OS/c1-3-9-7-21-12-6-18-11(4-10(9)12)8(2)22-15-19-13(16)5-14(17)20-15/h4-8H,3H2,1-2H3,(H2,17,19,20)
InChIKey
ZGUHYIFXFNYIIN-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(3-ethylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.06552 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07280 175.2
[M+Na]+ 357.05474 187.6
[M-H]- 333.05824 180.5
[M+NH4]+ 352.09934 188.3
[M+K]+ 373.02868 181.7
[M+H-H2O]+ 317.06278 167.4
[M+HCOO]- 379.06372 186.5
[M+CH3COO]- 393.07937 186.7
[M+Na-2H]- 355.04019 176.7
[M]+ 334.06497 182.8
[M]- 334.06607 182.8
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

patents stripe