CID 6243315

Nsc335784

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 162.4
[M+Na]+ 285.11442 166.4
[M-H]- 261.11792 165.3
[M+NH4]+ 280.15902 177.7
[M+K]+ 301.08836 162.5
[M+H-H2O]+ 245.12246 153.8
[M+HCOO]- 307.12340 180.9
[M+CH3COO]- 321.13905 205.0
[M+Na-2H]- 283.09987 163.7
[M]+ 262.12465 161.7
[M]- 262.12575 161.7
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.