CID 3050132

1,3,4-thiadiazol-2(3h)-one, 5-(2-methylphenyl)-, hydrazone, monohydrochloride

Structural Information

Molecular Formula
C9H10N4S
SMILES
CC1=CC=CC=C1C2=NN=C(S2)NN
InChI
InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-12-13-9(11-10)14-8/h2-5H,10H2,1H3,(H,11,13)
InChIKey
PFDMGSHHQHDZBH-UHFFFAOYSA-N
Compound name
[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

206.06262 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06990 140.9
[M+Na]+ 229.05184 150.6
[M-H]- 205.05534 145.7
[M+NH4]+ 224.09644 159.2
[M+K]+ 245.02578 146.2
[M+H-H2O]+ 189.05988 133.2
[M+HCOO]- 251.06082 161.6
[M+CH3COO]- 265.07647 154.1
[M+Na-2H]- 227.03729 144.6
[M]+ 206.06207 140.9
[M]- 206.06317 140.9
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