CID 472886

Hid.

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NN)C2=CC=CO2
InChI
InChI=1S/C10H13N5O2S/c1-2-15-9(7-4-3-5-17-7)13-14-10(15)18-6-8(16)12-11/h3-5H,2,6,11H2,1H3,(H,12,16)
InChIKey
WIBJBDHVXWLLFJ-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.079 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 157.5
[M+Na]+ 290.06822 167.4
[M-H]- 266.07172 162.4
[M+NH4]+ 285.11282 172.5
[M+K]+ 306.04216 165.1
[M+H-H2O]+ 250.07626 149.5
[M+HCOO]- 312.07720 177.6
[M+CH3COO]- 326.09285 196.9
[M+Na-2H]- 288.05367 158.5
[M]+ 267.07845 162.5
[M]- 267.07955 162.5
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

No patent data available for this compound.