CID 5703014

N(4)-methyl-2-pyridineformamide thiosemicarbazone

Structural Information

Molecular Formula
C8H11N5S
SMILES
CNC(=S)N/N=C(/C1=CC=CC=N1)\N
InChI
InChI=1S/C8H11N5S/c1-10-8(14)13-12-7(9)6-4-2-3-5-11-6/h2-5H,1H3,(H2,9,12)(H2,10,13,14)
InChIKey
BIYZVXHFNNODHD-UHFFFAOYSA-N
Compound name
1-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

209.07352 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08080 143.7
[M+Na]+ 232.06274 149.0
[M-H]- 208.06624 146.7
[M+NH4]+ 227.10734 160.6
[M+K]+ 248.03668 145.9
[M+H-H2O]+ 192.07078 135.4
[M+HCOO]- 254.07172 164.9
[M+CH3COO]- 268.08737 194.6
[M+Na-2H]- 230.04819 148.2
[M]+ 209.07297 140.7
[M]- 209.07407 140.7
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

No patent data available for this compound.