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]+ 263.132476 162.4
[M+Na]+ 285.114418 166.4
[M-H]- 261.117924 165.3
[M+NH4]+ 280.159023 177.7
[M+K]+ 301.088358 162.5
[M+H-H2O]+ 245.122460 153.8
[M+HCOO]- 307.123401 180.9
[M+CH3COO]- 321.139051 205.0
[M+Na-2H]- 283.099866 163.7
[M]+ 262.12465142 161.7
[M]- 262.12574858 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.