CID 5933827

Nsc673734

Structural Information

Molecular Formula
C10H14N4S
SMILES
CC1=NC(=CC=C1)/C(=N/NC(=S)NC)/C
InChI
InChI=1S/C10H14N4S/c1-7-5-4-6-9(12-7)8(2)13-14-10(15)11-3/h4-6H,1-3H3,(H2,11,14,15)/b13-8+
InChIKey
HIUGAFFFEDEUFL-MDWZMJQESA-N
Compound name
1-methyl-3-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10120 149.7
[M+Na]+ 245.08314 155.9
[M-H]- 221.08664 153.5
[M+NH4]+ 240.12774 167.2
[M+K]+ 261.05708 152.8
[M+H-H2O]+ 205.09118 141.8
[M+HCOO]- 267.09212 170.0
[M+CH3COO]- 281.10777 197.2
[M+Na-2H]- 243.06859 152.9
[M]+ 222.09337 149.7
[M]- 222.09447 149.7
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

No patent data available for this compound.