PubChemLite - Nsc709482 (C30H30N4O3)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCOCC6

InChI

InChI=1S/C30H30N4O3/c1-22-30-31-27-5-3-4-6-28(27)33(30)21-29(23-7-11-25(35-2)12-8-23)34(22)24-9-13-26(14-10-24)37-20-17-32-15-18-36-19-16-32/h3-14,21H,1,15-20H2,2H3

InChIKey

LXORPZDNCDYNIX-UHFFFAOYSA-N

Compound name

4-[2-[4-[3-(4-methoxyphenyl)-1-methylidenepyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine

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]+	495.23906	224.6
[M+Na]+	517.22100	230.8
[M-H]-	493.22450	233.3
[M+NH4]+	512.26560	227.1
[M+K]+	533.19494	223.3
[M+H-H2O]+	477.22904	209.2
[M+HCOO]-	539.22998	235.2
[M+CH3COO]-	553.24563	230.2
[M+Na-2H]-	515.20645	223.3
[M]+	494.23123	224.9
[M]-	494.23233	224.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.23906

224.6

[M+Na]+

517.22100

230.8

[M-H]-

493.22450

233.3

[M+NH4]+

512.26560

227.1

[M+K]+

533.19494

223.3

[M+H-H2O]+

477.22904

209.2

[M+HCOO]-

539.22998

235.2

[M+CH3COO]-

553.24563

230.2

[M+Na-2H]-

515.20645

223.3

[M]+

494.23123

224.9

[M]-

494.23233

224.9

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

Nsc709482

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe