CID 3062907

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

Structural Information

Molecular Formula
C17H18N4S
SMILES
CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4
InChI
InChI=1S/C17H18N4S/c1-12-11-14-15(13-5-3-2-4-6-13)19-17(20-16(14)22-12)21-9-7-18-8-10-21/h2-6,11,18H,7-10H2,1H3
InChIKey
JVBZWPQNEHZXOV-UHFFFAOYSA-N
Compound name
6-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 170.0
[M+Na]+ 333.11442 185.8
[M+NH4]+ 328.15902 178.8
[M+K]+ 349.08836 176.9
[M-H]- 309.11792 175.2
[M+Na-2H]- 331.09987 178.9
[M]+ 310.12465 174.3
[M]- 310.12575 174.3
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