PubChemLite - Nsc295499 (C25H23N3O7)

Structural Information

Molecular Formula

SMILES

COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)N5CCOCC5)O)C2=NC6=CC=CC=C61

InChI

InChI=1S/C25H23N3O7/c1-33-22-14-4-2-3-5-18(14)26-21-15(22)12-28-19(21)10-17-16(23(28)30)13-35-24(31)25(17,32)11-20(29)27-6-8-34-9-7-27/h2-5,10,32H,6-9,11-13H2,1H3

InChIKey

YVNNIWKSNZPQOZ-UHFFFAOYSA-N

Compound name

19-hydroxy-10-methoxy-19-(2-morpholin-4-yl-2-oxoethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-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]+	478.16088	209.9
[M+Na]+	500.14282	217.4
[M-H]-	476.14632	215.6
[M+NH4]+	495.18742	216.9
[M+K]+	516.11676	214.8
[M+H-H2O]+	460.15086	198.2
[M+HCOO]-	522.15180	215.1
[M+CH3COO]-	536.16745	216.5
[M+Na-2H]-	498.12827	211.2
[M]+	477.15305	212.0
[M]-	477.15415	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.16088

209.9

[M+Na]+

500.14282

217.4

[M-H]-

476.14632

215.6

[M+NH4]+

495.18742

216.9

[M+K]+

516.11676

214.8

[M+H-H2O]+

460.15086

198.2

[M+HCOO]-

522.15180

215.1

[M+CH3COO]-

536.16745

216.5

[M+Na-2H]-

498.12827

211.2

[M]+

477.15305

212.0

[M]-

477.15415

212.0

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

Nsc295499

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe