CID 3062909

Thieno(2,3-d)pyrimidine, 5,6-dimethyl-4-phenyl-2-(1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)C3=CC=CC=C3)N4CCNCC4)C
InChI
InChI=1S/C18H20N4S/c1-12-13(2)23-17-15(12)16(14-6-4-3-5-7-14)20-18(21-17)22-10-8-19-9-11-22/h3-7,19H,8-11H2,1-2H3
InChIKey
KBKFNXFQXMSHAW-UHFFFAOYSA-N
Compound name
5,6-dimethyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

324.14087 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 175.1
[M+Na]+ 347.13009 191.1
[M+NH4]+ 342.17469 183.8
[M+K]+ 363.10403 182.2
[M-H]- 323.13359 180.4
[M+Na-2H]- 345.11554 183.6
[M]+ 324.14032 179.5
[M]- 324.14142 179.5
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