PubChemLite - 883031-03-6 (C26H28F3N3O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(N1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)

InChIKey

NCZYSQOTAYFTNM-UHFFFAOYSA-N

Compound name

2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

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]+	472.22063	216.3
[M+Na]+	494.20257	225.2
[M+NH4]+	489.24717	219.6
[M+K]+	510.17651	220.1
[M-H]-	470.20607	218.6
[M+Na-2H]-	492.18802	220.9
[M]+	471.21280	217.9
[M]-	471.21390	217.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.22063

216.3

[M+Na]+

494.20257

225.2

[M+NH4]+

489.24717

219.6

[M+K]+

510.17651

220.1

[M-H]-

470.20607

218.6

[M+Na-2H]-

492.18802

220.9

[M]+

471.21280

217.9

[M]-

471.21390

217.9

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

883031-03-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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