CID 3061976

80087-19-0

Structural Information

Molecular Formula
C10H13N5OS2
SMILES
CN1C(=NN=N1)SCCCS(=O)C2=CC=CC=N2
InChI
InChI=1S/C10H13N5OS2/c1-15-10(12-13-14-15)17-7-4-8-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3
InChIKey
VOXQTLOEQYFOPR-UHFFFAOYSA-N
Compound name
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

283.05615 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06343 157.2
[M+Na]+ 306.04537 168.0
[M-H]- 282.04887 158.1
[M+NH4]+ 301.08997 169.4
[M+K]+ 322.01931 162.6
[M+H-H2O]+ 266.05341 149.1
[M+HCOO]- 328.05435 166.6
[M+CH3COO]- 342.07000 167.9
[M+Na-2H]- 304.03082 157.1
[M]+ 283.05560 161.8
[M]- 283.05670 161.8
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

patents stripe