CID 5920829

Nsc666006

Structural Information

Molecular Formula
C10H14N4S
SMILES
CCNC(=S)N/N=C(\C)/C1=CC=CC=N1
InChI
InChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+
InChIKey
JTHKAYIQGRORJA-MDWZMJQESA-N
Compound name
1-ethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
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 149.4
[M+Na]+ 245.08314 154.7
[M-H]- 221.08664 152.8
[M+NH4]+ 240.12774 166.5
[M+K]+ 261.05708 151.7
[M+H-H2O]+ 205.09118 141.3
[M+HCOO]- 267.09212 169.8
[M+CH3COO]- 281.10777 196.0
[M+Na-2H]- 243.06859 153.3
[M]+ 222.09337 149.0
[M]- 222.09447 149.0
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.