CID 5883157

Nsc335792

Structural Information

Molecular Formula
C13H18N4S
SMILES
CCC/C(=N\NC(=S)NCC=C)/C1=CC=CC=N1
InChI
InChI=1S/C13H18N4S/c1-3-7-12(11-8-5-6-10-14-11)16-17-13(18)15-9-4-2/h4-6,8,10H,2-3,7,9H2,1H3,(H2,15,17,18)/b16-12+
InChIKey
CTBRLWIPRVINOD-FOWTUZBSSA-N
Compound name
1-prop-2-enyl-3-[(E)-1-pyridin-2-ylbutylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1252 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 161.6
[M+Na]+ 285.11442 165.8
[M-H]- 261.11792 164.4
[M+NH4]+ 280.15902 177.0
[M+K]+ 301.08836 161.4
[M+H-H2O]+ 245.12246 152.9
[M+HCOO]- 307.12340 181.1
[M+CH3COO]- 321.13905 204.2
[M+Na-2H]- 283.09987 164.0
[M]+ 262.12465 161.5
[M]- 262.12575 161.5
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.