CID 492847

Schembl6639860

Structural Information

Molecular Formula
C15H16Cl2N4OS
SMILES
CC(C1=NC(=C2C(=C1)C(CO2)(C)C)Cl)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C15H16Cl2N4OS/c1-7(23-14-20-10(16)5-11(18)21-14)9-4-8-12(13(17)19-9)22-6-15(8,2)3/h4-5,7H,6H2,1-3H3,(H2,18,20,21)
InChIKey
YGQZAIQSZIWBRX-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(7-chloro-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

3
Patents

370.04218 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04946 179.7
[M+Na]+ 393.03140 191.6
[M-H]- 369.03490 184.0
[M+NH4]+ 388.07600 193.8
[M+K]+ 409.00534 186.0
[M+H-H2O]+ 353.03944 173.1
[M+HCOO]- 415.04038 183.1
[M+CH3COO]- 429.05603 190.1
[M+Na-2H]- 391.01685 179.5
[M]+ 370.04163 186.2
[M]- 370.04273 186.2
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