PubChemLite - Mk-4074 (C33H31N3O6)

Structural Information

Molecular Formula

SMILES

CC1=CN(C2=C1C(=CC(=C2)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CN=C6)C(=O)O)OC)C7CC7

InChI

InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40)

InChIKey

WDBNGXLHMZSUEI-UHFFFAOYSA-N

Compound name

5-[1'-(1-cyclopropyl-4-methoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid

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]+	566.22858	238.6
[M+Na]+	588.21052	255.3
[M+NH4]+	583.25512	245.8
[M+K]+	604.18446	249.1
[M-H]-	564.21402	253.3
[M+Na-2H]-	586.19597	246.8
[M]+	565.22075	246.6
[M]-	565.22185	246.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.22858

238.6

[M+Na]+

588.21052

255.3

[M+NH4]+

583.25512

245.8

[M+K]+

604.18446

249.1

[M-H]-

564.21402

253.3

[M+Na-2H]-

586.19597

246.8

[M]+

565.22075

246.6

[M]-

565.22185

246.6

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

Mk-4074

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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