CID 3062916

Thieno(2,3-d)pyrimidine, 6-methyl-4-(2-methylphenyl)-2-(1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC1=CC=CC=C1C2=C3C=C(SC3=NC(=N2)N4CCNCC4)C
InChI
InChI=1S/C18H20N4S/c1-12-5-3-4-6-14(12)16-15-11-13(2)23-17(15)21-18(20-16)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3
InChIKey
AGYHINIFWVREJJ-UHFFFAOYSA-N
Compound name
6-methyl-4-(2-methylphenyl)-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 176.1
[M+Na]+ 347.13009 186.0
[M-H]- 323.13359 180.6
[M+NH4]+ 342.17469 187.9
[M+K]+ 363.10403 177.9
[M+H-H2O]+ 307.13813 166.5
[M+HCOO]- 369.13907 186.8
[M+CH3COO]- 383.15472 185.7
[M+Na-2H]- 345.11554 176.3
[M]+ 324.14032 175.1
[M]- 324.14142 175.1
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