PubChemLite - Cdri 71-186 (C37H41N5)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C(=C(N2C=C1)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)CN6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C37H41N5/c1-30-17-18-42-35(27-30)34(28-38-19-23-40(24-20-38)32-13-7-3-8-14-32)37(31-11-5-2-6-12-31)36(42)29-39-21-25-41(26-22-39)33-15-9-4-10-16-33/h2-18,27H,19-26,28-29H2,1H3

InChIKey

OQOBIWLQHYKUTP-UHFFFAOYSA-N

Compound name

7-methyl-2-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizine

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]+	556.34348	242.3
[M+Na]+	578.32542	244.3
[M-H]-	554.32892	251.9
[M+NH4]+	573.37002	240.0
[M+K]+	594.29936	232.1
[M+H-H2O]+	538.33346	223.1
[M+HCOO]-	600.33440	248.7
[M+CH3COO]-	614.35005	244.1
[M+Na-2H]-	576.31087	236.3
[M]+	555.33565	234.0
[M]-	555.33675	234.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.34348

242.3

[M+Na]+

578.32542

244.3

[M-H]-

554.32892

251.9

[M+NH4]+

573.37002

240.0

[M+K]+

594.29936

232.1

[M+H-H2O]+

538.33346

223.1

[M+HCOO]-

600.33440

248.7

[M+CH3COO]-

614.35005

244.1

[M+Na-2H]-

576.31087

236.3

[M]+

555.33565

234.0

[M]-

555.33675

234.0

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

Cdri 71-186

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe