PubChemLite - (e)-squamosamide (C26H27NO7)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1O)OC)/C(=C/C2=CC(=C(C=C2)O)OC)/C(=O)NCCC3=CC=C(C=C3)O

InChI

InChI=1S/C26H27NO7/c1-32-22-13-17(6-9-21(22)29)12-20(18-14-23(33-2)25(30)24(15-18)34-3)26(31)27-11-10-16-4-7-19(28)8-5-16/h4-9,12-15,28-30H,10-11H2,1-3H3,(H,27,31)/b20-12-

InChIKey

VEUGFVRUMOLGFJ-NDENLUEZSA-N

Compound name

(Z)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

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]+	466.18602	211.5
[M+Na]+	488.16796	215.7
[M-H]-	464.17146	217.3
[M+NH4]+	483.21256	216.9
[M+K]+	504.14190	212.2
[M+H-H2O]+	448.17600	201.1
[M+HCOO]-	510.17694	228.8
[M+CH3COO]-	524.19259	233.6
[M+Na-2H]-	486.15341	208.7
[M]+	465.17819	215.2
[M]-	465.17929	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.18602

211.5

[M+Na]+

488.16796

215.7

[M-H]-

464.17146

217.3

[M+NH4]+

483.21256

216.9

[M+K]+

504.14190

212.2

[M+H-H2O]+

448.17600

201.1

[M+HCOO]-

510.17694

228.8

[M+CH3COO]-

524.19259

233.6

[M+Na-2H]-

486.15341

208.7

[M]+

465.17819

215.2

[M]-

465.17929

215.2

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

(e)-squamosamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe