CID 3079926

Brn 4189569

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CCCCCCSCCC(=O)NNC1=CC=CC=C1
InChI
InChI=1S/C15H24N2OS/c1-2-3-4-8-12-19-13-11-15(18)17-16-14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,17,18)
InChIKey
PPYSQTZKHMAMFK-UHFFFAOYSA-N
Compound name
3-hexylsulfanyl-N'-phenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 166.8
[M+Na]+ 303.15017 170.0
[M-H]- 279.15367 169.0
[M+NH4]+ 298.19477 182.4
[M+K]+ 319.12411 165.6
[M+H-H2O]+ 263.15821 158.8
[M+HCOO]- 325.15915 185.3
[M+CH3COO]- 339.17480 204.2
[M+Na-2H]- 301.13562 168.4
[M]+ 280.16040 169.4
[M]- 280.16150 169.4
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.