CID 492848

Schembl6640626

Structural Information

Molecular Formula
C15H14Cl2N4OS
SMILES
CCC1=COC2=C(N=C(C=C12)C(C)SC3=NC(=CC(=N3)Cl)N)Cl
InChI
InChI=1S/C15H14Cl2N4OS/c1-3-8-6-22-13-9(8)4-10(19-14(13)17)7(2)23-15-20-11(16)5-12(18)21-15/h4-7H,3H2,1-2H3,(H2,18,20,21)
InChIKey
WXFBXJOTFOGSTO-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(7-chloro-3-ethylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.02655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03383 181.2
[M+Na]+ 391.01577 194.3
[M-H]- 367.01927 186.0
[M+NH4]+ 386.06037 193.5
[M+K]+ 406.98971 187.8
[M+H-H2O]+ 351.02381 173.9
[M+HCOO]- 413.02475 187.2
[M+CH3COO]- 427.04040 192.0
[M+Na-2H]- 389.00122 181.1
[M]+ 368.02600 190.1
[M]- 368.02710 190.1
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