CID 3062911

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

Structural Information

Molecular Formula
C17H18N4S
SMILES
CC1=CSC2=NC(=NC(=C12)C3=CC=CC=C3)N4CCNCC4
InChI
InChI=1S/C17H18N4S/c1-12-11-22-16-14(12)15(13-5-3-2-4-6-13)19-17(20-16)21-9-7-18-8-10-21/h2-6,11,18H,7-10H2,1H3
InChIKey
PRCNRXJOWBHJHI-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

310.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13248 170.8
[M+Na]+ 333.11442 180.3
[M-H]- 309.11792 175.1
[M+NH4]+ 328.15902 182.9
[M+K]+ 349.08836 172.4
[M+H-H2O]+ 293.12246 161.1
[M+HCOO]- 355.12340 181.9
[M+CH3COO]- 369.13905 180.5
[M+Na-2H]- 331.09987 172.2
[M]+ 310.12465 169.1
[M]- 310.12575 169.1
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