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]+ 262.13725 163.4
[M+Na]+ 284.11919 167.7
[M-H]- 260.12269 167.3
[M+NH4]+ 279.16379 180.0
[M+K]+ 300.09313 163.4
[M+H-H2O]+ 244.12723 155.7
[M+HCOO]- 306.12817 182.0
[M+CH3COO]- 320.14382 206.0
[M+Na-2H]- 282.10464 162.2
[M]+ 261.12942 161.9
[M]- 261.13052 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.