CID 9574721

[(e)-[(z)-3-(4-isopropylphenyl)-2-methyl-prop-2-enylidene]amino]thiourea

Structural Information

Molecular Formula
C14H19N3S
SMILES
CC(C)C1=CC=C(C=C1)/C=C(/C)\C=N\NC(=S)N
InChI
InChI=1S/C14H19N3S/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-16-17-14(15)18/h4-10H,1-3H3,(H3,15,17,18)/b11-8-,16-9+
InChIKey
WFYMWFLOFMMFLH-GCBMJNBHSA-N
Compound name
[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.12997 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.137246 163.4
[M+Na]+ 284.119188 167.7
[M-H]- 260.122694 167.3
[M+NH4]+ 279.163793 180.0
[M+K]+ 300.093128 163.4
[M+H-H2O]+ 244.127230 155.7
[M+HCOO]- 306.128171 182.0
[M+CH3COO]- 320.143821 206.0
[M+Na-2H]- 282.104636 162.2
[M]+ 261.12942142 161.9
[M]- 261.13051858 161.9
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.