PubChemLite - [11c]az10419369 (C26H30N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=O)C=C(OC2=C(C=C1)N3CCN(CC3)[11CH3])C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2-1

InChIKey

JKPWOPNZKYPRPZ-JVVVGQRLSA-N

Compound name

5-methyl-8-(4-(111C)methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

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]+	462.24541	214.8
[M+Na]+	484.22735	229.2
[M+NH4]+	479.27195	220.2
[M+K]+	500.20129	222.2
[M-H]-	460.23085	224.2
[M+Na-2H]-	482.21280	220.7
[M]+	461.23758	219.4
[M]-	461.23868	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.24541

214.8

[M+Na]+

484.22735

229.2

[M+NH4]+

479.27195

220.2

[M+K]+

500.20129

222.2

[M-H]-

460.23085

224.2

[M+Na-2H]-

482.21280

220.7

[M]+

461.23758

219.4

[M]-

461.23868

219.4

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

[11c]az10419369

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe