Moschamindole (C20H18N2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2C3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O

InChI

InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)

InChIKey

GEJUXZYANAYHRZ-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-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]+	351.133926	185.0
[M+Na]+	373.115868	190.4
[M-H]-	349.119374	186.6
[M+NH4]+	368.160473	191.2
[M+K]+	389.089808	188.5
[M+H-H2O]+	333.123910	180.4
[M+HCOO]-	395.124851	190.0
[M+CH3COO]-	409.140501	187.6
[M+Na-2H]-	371.101316	181.7
[M]+	350.12610142	185.3
[M]-	350.12719858	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.133926

185.0

[M+Na]+

373.115868

190.4

[M-H]-

349.119374

186.6

[M+NH4]+

368.160473

191.2

[M+K]+

389.089808

188.5

[M+H-H2O]+

333.123910

180.4

[M+HCOO]-

395.124851

190.0

[M+CH3COO]-

409.140501

187.6

[M+Na-2H]-

371.101316

181.7

[M]+

350.12610142

185.3

[M]-

350.12719858

185.3

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

Moschamindole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe