PubChemLite - Zotiraciclib (C23H24N4O)

Structural Information

Molecular Formula

SMILES

CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

InChI

InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+

InChIKey

VXBAJLGYBMTJCY-NSCUHMNNSA-N

Compound name

(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

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	186.9
[M+Na]+	395.18422	203.1
[M+NH4]+	390.22882	194.4
[M+K]+	411.15816	193.5
[M-H]-	371.18772	190.6
[M+Na-2H]-	393.16967	191.6
[M]+	372.19445	190.2
[M]-	372.19555	190.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.20228

186.9

[M+Na]+

395.18422

203.1

[M+NH4]+

390.22882

194.4

[M+K]+

411.15816

193.5

[M-H]-

371.18772

190.6

[M+Na-2H]-

393.16967

191.6

[M]+

372.19445

190.2

[M]-

372.19555

190.2

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

Zotiraciclib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe