PubChemLite - Lanraplenib (C23H25N9O)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C2COC2)C3=CC=C(C=C3)NC4=NC(=CN5C4=NC=C5)C6=CN=CC(=N6)N

InChI

InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)

InChIKey

XCIGZBVOUQVIPI-UHFFFAOYSA-N

Compound name

6-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

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]+	444.22548	201.5
[M+Na]+	466.20742	212.7
[M+NH4]+	461.25202	202.8
[M+K]+	482.18136	209.5
[M-H]-	442.21092	207.0
[M+Na-2H]-	464.19287	208.4
[M]+	443.21765	203.4
[M]-	443.21875	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.22548

201.5

[M+Na]+

466.20742

212.7

[M+NH4]+

461.25202

202.8

[M+K]+

482.18136

209.5

[M-H]-

442.21092

207.0

[M+Na-2H]-

464.19287

208.4

[M]+

443.21765

203.4

[M]-

443.21875

203.4

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

Lanraplenib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe