PubChemLite - 33955-42-9 (C24H9NO5)

Structural Information

Molecular Formula

SMILES

C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)NC2=O

InChI

InChI=1S/C24H9NO5/c26-21-13-5-1-9-11-3-7-15-20-16(24(29)30-23(15)28)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,25,26,27)

InChIKey

DEEPEOMBESAOEX-UHFFFAOYSA-N

Compound name

7-oxa-18-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

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]+	392.05535	186.5
[M+Na]+	414.03729	197.0
[M-H]-	390.04079	191.2
[M+NH4]+	409.08189	200.1
[M+K]+	430.01123	191.7
[M+H-H2O]+	374.04533	173.7
[M+HCOO]-	436.04627	195.7
[M+CH3COO]-	450.06192	195.5
[M+Na-2H]-	412.02274	195.6
[M]+	391.04752	192.1
[M]-	391.04862	192.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.05535

186.5

[M+Na]+

414.03729

197.0

[M-H]-

390.04079

191.2

[M+NH4]+

409.08189

200.1

[M+K]+

430.01123

191.7

[M+H-H2O]+

374.04533

173.7

[M+HCOO]-

436.04627

195.7

[M+CH3COO]-

450.06192

195.5

[M+Na-2H]-

412.02274

195.6

[M]+

391.04752

192.1

[M]-

391.04862

192.1

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

33955-42-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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