PubChemLite - Abt-288 (C23H24N4O)

Structural Information

Molecular Formula

SMILES

CN1C[C@H]2CCN([C@H]2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)C=CC=N5

InChI

InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1

InChIKey

GNIRITULTPTAQW-KNQAVFIVSA-N

Compound name

2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-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]+	373.20228	191.4
[M+Na]+	395.18422	207.0
[M+NH4]+	390.22882	199.2
[M+K]+	411.15816	201.8
[M-H]-	371.18772	197.9
[M+Na-2H]-	393.16967	200.2
[M]+	372.19445	195.5
[M]-	372.19555	195.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.20228

191.4

[M+Na]+

395.18422

207.0

[M+NH4]+

390.22882

199.2

[M+K]+

411.15816

201.8

[M-H]-

371.18772

197.9

[M+Na-2H]-

393.16967

200.2

[M]+

372.19445

195.5

[M]-

372.19555

195.5

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

Abt-288

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe