CID 2760428

683274-67-1

Structural Information

Molecular Formula
C10H12N4S
SMILES
C1CN(CCN1)C2=NC=NC3=C2SC=C3
InChI
InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKey
GVNSLBIXJYZCCB-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

35
Patents

220.07826 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.085536 145.0
[M+Na]+ 243.067478 154.4
[M-H]- 219.070984 146.1
[M+NH4]+ 238.112083 160.8
[M+K]+ 259.041418 149.2
[M+H-H2O]+ 203.075520 136.7
[M+HCOO]- 265.076461 157.1
[M+CH3COO]- 279.092111 156.2
[M+Na-2H]- 241.052926 149.0
[M]+ 220.07771142 142.7
[M]- 220.07880858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe