CID 9574737

[(e)-[(e)-3-(2,4-dimethoxyphenyl)-1-methyl-prop-2-enylidene]amino]thiourea

Structural Information

Molecular Formula
C13H17N3O2S
SMILES
C/C(=N\NC(=S)N)/C=C/C1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C13H17N3O2S/c1-9(15-16-13(14)19)4-5-10-6-7-11(17-2)8-12(10)18-3/h4-8H,1-3H3,(H3,14,16,19)/b5-4+,15-9+
InChIKey
QXISRPAUMNJHFE-YUQKSTFXSA-N
Compound name
[(E)-[(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.10416 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11144 164.8
[M+Na]+ 302.09338 170.3
[M-H]- 278.09688 169.0
[M+NH4]+ 297.13798 180.8
[M+K]+ 318.06732 166.8
[M+H-H2O]+ 262.10142 156.9
[M+HCOO]- 324.10236 185.1
[M+CH3COO]- 338.11801 207.6
[M+Na-2H]- 300.07883 164.7
[M]+ 279.10361 166.6
[M]- 279.10471 166.6
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.