CID 49767923

2-(4-methylpiperazin-1-yl)-4-phenyl-6-(2-thienyl)pyrimidine

Structural Information

Molecular Formula
C19H20N4S
SMILES
CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4S/c1-22-9-11-23(12-10-22)19-20-16(15-6-3-2-4-7-15)14-17(21-19)18-8-5-13-24-18/h2-8,13-14H,9-12H2,1H3
InChIKey
XHIWTNAQIVHCPS-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-phenyl-6-thiophen-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.14087 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14815 179.1
[M+Na]+ 359.13009 187.0
[M-H]- 335.13359 186.4
[M+NH4]+ 354.17469 189.2
[M+K]+ 375.10403 179.7
[M+H-H2O]+ 319.13813 167.8
[M+HCOO]- 381.13907 191.1
[M+CH3COO]- 395.15472 188.3
[M+Na-2H]- 357.11554 178.1
[M]+ 336.14032 176.8
[M]- 336.14142 176.8
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

No patent data available for this compound.