CID 216791

Qm-1148

Structural Information

Molecular Formula
C12H16N4S
SMILES
CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C
InChI
InChI=1S/C12H16N4S/c1-9-7-17-12-10(9)11(13-8-14-12)16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3
InChIKey
LIRQOFXGSZVBPJ-UHFFFAOYSA-N
Compound name
5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.10957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.116846 155.3
[M+Na]+ 271.098788 166.0
[M-H]- 247.102294 158.1
[M+NH4]+ 266.143393 171.2
[M+K]+ 287.072728 161.0
[M+H-H2O]+ 231.106830 146.7
[M+HCOO]- 293.107771 168.1
[M+CH3COO]- 307.123421 166.9
[M+Na-2H]- 269.084236 157.0
[M]+ 248.10902142 156.2
[M]- 248.11011858 156.2
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