PubChemLite - Adolezesin (C30H22N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7

InChI

InChI=1S/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36)

InChIKey

BYRVKDUQDLJUBX-UHFFFAOYSA-N

Compound name

N-[2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-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]+	503.17138	216.6
[M+Na]+	525.15332	231.8
[M+NH4]+	520.19792	225.5
[M+K]+	541.12726	231.4
[M-H]-	501.15682	229.6
[M+Na-2H]-	523.13877	222.6
[M]+	502.16355	223.8
[M]-	502.16465	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.17138

216.6

[M+Na]+

525.15332

231.8

[M+NH4]+

520.19792

225.5

[M+K]+

541.12726

231.4

[M-H]-

501.15682

229.6

[M+Na-2H]-

523.13877

222.6

[M]+

502.16355

223.8

[M]-

502.16465

223.8

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

Adolezesin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe