PubChemLite - Lmp744 (C24H24N2O7)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC

InChI

InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3

InChIKey

QCSDJDQOJBQTDV-UHFFFAOYSA-N

Compound name

20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione

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]+	453.16564	207.8
[M+Na]+	475.14758	219.8
[M+NH4]+	470.19218	213.5
[M+K]+	491.12152	217.8
[M-H]-	451.15108	211.7
[M+Na-2H]-	473.13303	205.9
[M]+	452.15781	210.5
[M]-	452.15891	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.16564

207.8

[M+Na]+

475.14758

219.8

[M+NH4]+

470.19218

213.5

[M+K]+

491.12152

217.8

[M-H]-

451.15108

211.7

[M+Na-2H]-

473.13303

205.9

[M]+

452.15781

210.5

[M]-

452.15891

210.5

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

Lmp744

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe