CID 731275

40106-45-4

Structural Information

Molecular Formula
C10H12N4S
SMILES
C1CCC2=C(C1)C3=C(N=CN=C3S2)NN
InChI
InChI=1S/C10H12N4S/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9/h5H,1-4,11H2,(H,12,13,14)
InChIKey
RLYKRTXCPRRQST-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

220.07826 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.085536 140.5
[M+Na]+ 243.067478 150.3
[M-H]- 219.070984 143.3
[M+NH4]+ 238.112083 160.4
[M+K]+ 259.041418 145.5
[M+H-H2O]+ 203.075520 133.9
[M+HCOO]- 265.076461 157.8
[M+CH3COO]- 279.092111 153.1
[M+Na-2H]- 241.052926 147.2
[M]+ 220.07771142 140.1
[M]- 220.07880858 140.1
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