PubChemLite - 3862-66-6 (C26H35N3O6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCNC(=O)/C(=C/C1=C(C=C(C=C1)OC)OC)/NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C26H35N3O6/c1-7-29(8-2)12-11-27-26(31)23(15-18-9-10-20(32-3)17-24(18)35-6)28-25(30)19-13-21(33-4)16-22(14-19)34-5/h9-10,13-17H,7-8,11-12H2,1-6H3,(H,27,31)(H,28,30)/b23-15-

InChIKey

QZBNGCRMCSWTOZ-HAHDFKILSA-N

Compound name

N-[(Z)-3-[2-(diethylamino)ethylamino]-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]-3,5-dimethoxybenzamide

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]+	486.25988	220.6
[M+Na]+	508.24182	222.1
[M-H]-	484.24532	227.5
[M+NH4]+	503.28642	227.3
[M+K]+	524.21576	221.6
[M+H-H2O]+	468.24986	209.6
[M+HCOO]-	530.25080	242.9
[M+CH3COO]-	544.26645	252.0
[M+Na-2H]-	506.22727	217.0
[M]+	485.25205	228.6
[M]-	485.25315	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.25988

220.6

[M+Na]+

508.24182

222.1

[M-H]-

484.24532

227.5

[M+NH4]+

503.28642

227.3

[M+K]+

524.21576

221.6

[M+H-H2O]+

468.24986

209.6

[M+HCOO]-

530.25080

242.9

[M+CH3COO]-

544.26645

252.0

[M+Na-2H]-

506.22727

217.0

[M]+

485.25205

228.6

[M]-

485.25315

228.6

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

3862-66-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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