CID 9574743

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

Structural Information

Molecular Formula
C15H21N3S
SMILES
CCCCC1=CC=C(C=C1)/C=C(\C)/C=N/NC(=S)N
InChI
InChI=1S/C15H21N3S/c1-3-4-5-13-6-8-14(9-7-13)10-12(2)11-17-18-15(16)19/h6-11H,3-5H2,1-2H3,(H3,16,18,19)/b12-10+,17-11+
InChIKey
BPAZFEPIDCIZKF-SVSXJNCISA-N
Compound name
[(E)-[(E)-3-(4-butylphenyl)-2-methylprop-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.14563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 167.0
[M+Na]+ 298.13485 171.1
[M-H]- 274.13835 170.6
[M+NH4]+ 293.17945 183.1
[M+K]+ 314.10879 166.1
[M+H-H2O]+ 258.14289 158.9
[M+HCOO]- 320.14383 186.3
[M+CH3COO]- 334.15948 208.1
[M+Na-2H]- 296.12030 166.4
[M]+ 275.14508 166.4
[M]- 275.14618 166.4
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.