CID 9578890

Nsc647133

Structural Information

Molecular Formula
C10H14N4S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)N(C)C
InChI
InChI=1S/C10H14N4S/c1-8-5-4-6-9(12-8)7-11-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)/b11-7+
InChIKey
UGCNWDAIRROYFC-YRNVUSSQSA-N
Compound name
1,1-dimethyl-3-[(E)-(6-methylpyridin-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.09392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10120 149.7
[M+Na]+ 245.08314 156.3
[M-H]- 221.08664 154.9
[M+NH4]+ 240.12774 167.8
[M+K]+ 261.05708 154.1
[M+H-H2O]+ 205.09118 141.5
[M+HCOO]- 267.09212 171.4
[M+CH3COO]- 281.10777 199.7
[M+Na-2H]- 243.06859 153.2
[M]+ 222.09337 151.5
[M]- 222.09447 151.5
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.