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

15
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 156.5
[M+Na]+ 248.11919 160.0
[M-H]- 224.12269 156.9
[M+NH4]+ 243.16379 174.5
[M+K]+ 264.09313 156.6
[M+H-H2O]+ 208.12723 149.5
[M+HCOO]- 270.12817 174.4
[M+CH3COO]- 284.14382 198.9
[M+Na-2H]- 246.10464 154.3
[M]+ 225.12942 154.9
[M]- 225.13052 154.9
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

patents stripe