CID 9555209

1-hexadecanesulfonic acid (2-chloro-alpha-morpholinobenzylidene)hydrazide

Structural Information

Molecular Formula
C27H46ClN3O3S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/C1=CC=CC=C1Cl)\N2CCOCC2
InChI
InChI=1S/C27H46ClN3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-35(32,33)30-29-27(31-20-22-34-23-21-31)25-18-15-16-19-26(25)28/h15-16,18-19,30H,2-14,17,20-24H2,1H3/b29-27-
InChIKey
IBXVOJXKYXQZNN-OHYPFYFLSA-N
Compound name
N-[(Z)-[(2-chlorophenyl)-morpholin-4-ylmethylidene]amino]hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.29486 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.30214 232.2
[M+Na]+ 550.28408 231.0
[M-H]- 526.28758 235.8
[M+NH4]+ 545.32868 236.2
[M+K]+ 566.25802 224.8
[M+H-H2O]+ 510.29212 221.7
[M+HCOO]- 572.29306 238.3
[M+CH3COO]- 586.30871 248.6
[M+Na-2H]- 548.26953 229.6
[M]+ 527.29431 238.4
[M]- 527.29541 238.4
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.