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

16
Patents

310.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.132476 170.8
[M+Na]+ 333.114418 180.3
[M-H]- 309.117924 175.1
[M+NH4]+ 328.159023 182.9
[M+K]+ 349.088358 172.4
[M+H-H2O]+ 293.122460 161.1
[M+HCOO]- 355.123401 181.9
[M+CH3COO]- 369.139051 180.5
[M+Na-2H]- 331.099866 172.2
[M]+ 310.12465142 169.1
[M]- 310.12574858 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