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

literature stripe

Patent stripe

patents stripe