Pending (C23H26N2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(=C1)C34CCN5CC3C6C7C4N2C(=O)CC7OCC=C6C5)OC

InChI

InChI=1S/C23H26N2O4/c1-27-16-7-13-15(8-17(16)28-2)25-19(26)9-18-21-20-12(3-6-29-18)10-24-5-4-23(13,22(21)25)14(20)11-24/h3,7-8,14,18,20-22H,4-6,9-11H2,1-2H3

InChIKey

SNIQKBBBJUCTFG-UHFFFAOYSA-N

Compound name

4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,19.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one

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]+	395.19655	190.8
[M+Na]+	417.17849	197.0
[M-H]-	393.18199	194.9
[M+NH4]+	412.22309	209.1
[M+K]+	433.15243	192.2
[M+H-H2O]+	377.18653	182.9
[M+HCOO]-	439.18747	194.8
[M+CH3COO]-	453.20312	198.2
[M+Na-2H]-	415.16394	191.0
[M]+	394.18872	191.4
[M]-	394.18982	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.19655

190.8

[M+Na]+

417.17849

197.0

[M-H]-

393.18199

194.9

[M+NH4]+

412.22309

209.1

[M+K]+

433.15243

192.2

[M+H-H2O]+

377.18653

182.9

[M+HCOO]-

439.18747

194.8

[M+CH3COO]-

453.20312

198.2

[M+Na-2H]-

415.16394

191.0

[M]+

394.18872

191.4

[M]-

394.18982

191.4

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

Pending

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe