CID 207489

30115-77-6

Structural Information

Molecular Formula
C25H35N3O
SMILES
C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCCN4CCN(CC4)CCO
InChI
InChI=1S/C25H35N3O/c29-19-18-27-16-14-26(15-17-27)12-5-13-28-20-24-8-3-1-6-22(24)10-11-23-7-2-4-9-25(23)21-28/h1-4,6-9,29H,5,10-21H2
InChIKey
HLZHCGNMOVOPSU-UHFFFAOYSA-N
Compound name
2-[4-[3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28528 203.2
[M+Na]+ 416.26722 200.0
[M-H]- 392.27072 201.1
[M+NH4]+ 411.31182 201.2
[M+K]+ 432.24116 200.0
[M+H-H2O]+ 376.27526 192.5
[M+HCOO]- 438.27620 201.8
[M+CH3COO]- 452.29185 202.2
[M+Na-2H]- 414.25267 202.8
[M]+ 393.27745 201.4
[M]- 393.27855 201.4
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.