CID 4111816

3-(hexadecylthio)-phenylhydrazine hydrochloride

Structural Information

Molecular Formula
C22H40N2S
SMILES
CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)NN
InChI
InChI=1S/C22H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22-18-16-17-21(20-22)24-23/h16-18,20,24H,2-15,19,23H2,1H3
InChIKey
FBSCEFJPVIUQBL-UHFFFAOYSA-N
Compound name
(3-hexadecylsulfanylphenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

364.29123 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29851 192.5
[M+Na]+ 387.28045 193.5
[M-H]- 363.28395 193.0
[M+NH4]+ 382.32505 204.9
[M+K]+ 403.25439 186.7
[M+H-H2O]+ 347.28849 183.4
[M+HCOO]- 409.28943 208.7
[M+CH3COO]- 423.30508 224.3
[M+Na-2H]- 385.26590 190.1
[M]+ 364.29068 196.9
[M]- 364.29178 196.9
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