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

0
Patents

248.10957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11685 155.3
[M+Na]+ 271.09879 166.0
[M-H]- 247.10229 158.1
[M+NH4]+ 266.14339 171.2
[M+K]+ 287.07273 161.0
[M+H-H2O]+ 231.10683 146.7
[M+HCOO]- 293.10777 168.1
[M+CH3COO]- 307.12342 166.9
[M+Na-2H]- 269.08424 157.0
[M]+ 248.10902 156.2
[M]- 248.11012 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