CID 9570627

Antifungal agent 20

Structural Information

Molecular Formula
C11H19N3S
SMILES
CC(=CCC/C(=C/C=N/NC(=S)N)/C)C
InChI
InChI=1S/C11H19N3S/c1-9(2)5-4-6-10(3)7-8-13-14-11(12)15/h5,7-8H,4,6H2,1-3H3,(H3,12,14,15)/b10-7+,13-8+
InChIKey
OVUJOZUSCSTKGA-OOHIBURESA-N
Compound name
[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.12997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13725 157.6
[M+Na]+ 248.11919 162.9
[M+NH4]+ 243.16379 163.6
[M+K]+ 264.09313 156.0
[M-H]- 224.12269 157.5
[M+Na-2H]- 246.10464 158.2
[M]+ 225.12942 158.1
[M]- 225.13052 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.