PubChemLite - Nvp-saa164 (C36H45N5O5S)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N6CCOCC6

InChI

InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3

InChIKey

VODUCDWVPSEMSZ-UHFFFAOYSA-N

Compound name

[1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

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]+	660.32143	243.3
[M+Na]+	682.30337	253.2
[M+NH4]+	677.34797	246.0
[M+K]+	698.27731	246.6
[M-H]-	658.30687	252.0
[M+Na-2H]-	680.28882	251.8
[M]+	659.31360	247.2
[M]-	659.31470	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

660.32143

243.3

[M+Na]+

682.30337

253.2

[M+NH4]+

677.34797

246.0

[M+K]+

698.27731

246.6

[M-H]-

658.30687

252.0

[M+Na-2H]-

680.28882

251.8

[M]+

659.31360

247.2

[M]-

659.31470

247.2

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

Nvp-saa164

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe