CID 9656831

4-(carboxymethoxy)benzenesulfonic (1-methyl4pentadecyl2quinolylidene)hydrazide

Structural Information

Molecular Formula
C33H47N3O5S
SMILES
CCCCCCCCCCCCCCCC1=C/C(=N\NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)O)/N(C3=CC=CC=C31)C
InChI
InChI=1S/C33H47N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-25-32(36(2)31-20-17-16-19-30(27)31)34-35-42(39,40)29-23-21-28(22-24-29)41-26-33(37)38/h16-17,19-25,35H,3-15,18,26H2,1-2H3,(H,37,38)/b34-32+
InChIKey
LCJQVVDTBHSKKR-NWBJSICCSA-N
Compound name
2-[4-[[(E)-(1-methyl-4-pentadecylquinolin-2-ylidene)amino]sulfamoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.32367 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.33095 248.3
[M+Na]+ 620.31289 249.0
[M-H]- 596.31639 251.5
[M+NH4]+ 615.35749 250.0
[M+K]+ 636.28683 242.0
[M+H-H2O]+ 580.32093 236.3
[M+HCOO]- 642.32187 260.2
[M+CH3COO]- 656.33752 264.5
[M+Na-2H]- 618.29834 247.4
[M]+ 597.32312 257.9
[M]- 597.32422 257.9
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

No patent data available for this compound.