PubChemLite - Nsc350629 (C26H33NO11)

Structural Information

Molecular Formula

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)C(=C)CN(C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H33NO11/c1-14(12-27(6)7)22(32)19-8-10-20(11-9-19)37-26-25(36-18(5)31)24(35-17(4)30)23(34-16(3)29)21(38-26)13-33-15(2)28/h8-11,21,23-26H,1,12-13H2,2-7H3

InChIKey

CZQYJARXPRSTCI-UHFFFAOYSA-N

Compound name

[3,4,5-triacetyloxy-6-[4-[2-[(dimethylamino)methyl]prop-2-enoyl]phenoxy]oxan-2-yl]methyl acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	536.21268	217.2
[M+Na]+	558.19462	218.0
[M-H]-	534.19812	224.3
[M+NH4]+	553.23922	237.8
[M+K]+	574.16856	222.8
[M+H-H2O]+	518.20266	208.4
[M+HCOO]-	580.20360	234.8
[M+CH3COO]-	594.21925	255.7
[M+Na-2H]-	556.18007	209.4
[M]+	535.20485	227.3
[M]-	535.20595	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.21268

217.2

[M+Na]+

558.19462

218.0

[M-H]-

534.19812

224.3

[M+NH4]+

553.23922

237.8

[M+K]+

574.16856

222.8

[M+H-H2O]+

518.20266

208.4

[M+HCOO]-

580.20360

234.8

[M+CH3COO]-

594.21925

255.7

[M+Na-2H]-

556.18007

209.4

[M]+

535.20485

227.3

[M]-

535.20595

227.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nsc350629

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe