PubChemLite - 170230-39-4 (C28H30N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OCCN(C)C

InChI

InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)

InChIKey

JRNUKVFYILMMLX-UHFFFAOYSA-N

Compound name

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

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]+	487.23398	222.6
[M+Na]+	509.21592	236.8
[M+NH4]+	504.26052	227.5
[M+K]+	525.18986	231.5
[M-H]-	485.21942	231.4
[M+Na-2H]-	507.20137	231.2
[M]+	486.22615	227.1
[M]-	486.22725	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.23398

222.6

[M+Na]+

509.21592

236.8

[M+NH4]+

504.26052

227.5

[M+K]+

525.18986

231.5

[M-H]-

485.21942

231.4

[M+Na-2H]-

507.20137

231.2

[M]+

486.22615

227.1

[M]-

486.22725

227.1

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

170230-39-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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