PubChemLite - Ym 218 (C35H38F2N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC(/C(=C\C(=O)N4CCC(CC4)N5CCCCC5)/C6=CC=CC=C63)(F)F

InChI

InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-

InChIKey

VDUUABBYYOPFAW-WMMMYUQOSA-N

Compound name

N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-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]+	617.29341	250.0
[M+Na]+	639.27535	256.1
[M+NH4]+	634.31995	252.8
[M+K]+	655.24929	251.0
[M-H]-	615.27885	253.9
[M+Na-2H]-	637.26080	252.6
[M]+	616.28558	251.6
[M]-	616.28668	251.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.29341

250.0

[M+Na]+

639.27535

256.1

[M+NH4]+

634.31995

252.8

[M+K]+

655.24929

251.0

[M-H]-

615.27885

253.9

[M+Na-2H]-

637.26080

252.6

[M]+

616.28558

251.6

[M]-

616.28668

251.6

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

Ym 218

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe