CID 42871

Cdri 71-186

Structural Information

Molecular Formula
C37H41N5
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.3362 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.34348 245.2
[M+Na]+ 578.32542 263.8
[M+NH4]+ 573.37002 252.5
[M+K]+ 594.29936 252.7
[M-H]- 554.32892 256.7
[M+Na-2H]- 576.31087 256.9
[M]+ 555.33565 251.4
[M]- 555.33675 251.4
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.