CID 42869

Cdri 71-152

Structural Information

Molecular Formula
C36H37Cl2N5
SMILES
C1CN(CCN1CC2=C3C=CC=CN3C(=C2C4=CC=CC=C4)CN5CCN(CC5)C6=CC(=CC=C6)Cl)C7=CC(=CC=C7)Cl
InChI
InChI=1S/C36H37Cl2N5/c37-29-10-6-12-31(24-29)41-20-16-39(17-21-41)26-33-34-14-4-5-15-43(34)35(36(33)28-8-2-1-3-9-28)27-40-18-22-42(23-19-40)32-13-7-11-30(38)25-32/h1-15,24-25H,16-23,26-27H2
InChIKey
KNXXRGXMCVULPD-UHFFFAOYSA-N
Compound name
1,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-phenylindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.2426 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.24988 254.3
[M+Na]+ 632.23182 274.7
[M+NH4]+ 627.27642 262.1
[M+K]+ 648.20576 262.0
[M-H]- 608.23532 265.6
[M+Na-2H]- 630.21727 265.5
[M]+ 609.24205 261.4
[M]- 609.24315 261.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.