CID 3041970

Cdri 71-153

Structural Information

Molecular Formula
C38H41N3O2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC3=C4C=CC=CN4C(=C3C5=CC=CC=C5)CN6CCC(CC6)(C7=CC=CC=C7)O
InChI
InChI=1S/C38H41N3O2/c42-37(31-14-6-2-7-15-31)19-24-39(25-20-37)28-33-34-18-10-11-23-41(34)35(36(33)30-12-4-1-5-13-30)29-40-26-21-38(43,22-27-40)32-16-8-3-9-17-32/h1-18,23,42-43H,19-22,24-29H2
InChIKey
BFXUXSQGSZBDKD-UHFFFAOYSA-N
Compound name
1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.3199 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.32718 242.8
[M+Na]+ 594.30912 244.9
[M-H]- 570.31262 253.2
[M+NH4]+ 589.35372 245.1
[M+K]+ 610.28306 234.8
[M+H-H2O]+ 554.31716 224.6
[M+HCOO]- 616.31810 249.6
[M+CH3COO]- 630.33375 245.1
[M+Na-2H]- 592.29457 238.9
[M]+ 571.31935 234.0
[M]- 571.32045 234.0
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.