CID 13294616

93464-31-4

Structural Information

Molecular Formula
C24H35N3
SMILES
C1CCN(CC1)CCCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C24H35N3/c1-6-16-26(17-7-1)18-9-19-27-23-13-3-2-11-22(23)25-21-12-8-10-20(21)24(27)14-4-5-15-24/h2-3,11,13,20H,1,4-10,12,14-19H2
InChIKey
DLFIUSFWMAYQCJ-UHFFFAOYSA-N
Compound name
5-(3-piperidin-1-ylpropyl)spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2831 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.29038 195.3
[M+Na]+ 388.27232 197.7
[M-H]- 364.27582 200.8
[M+NH4]+ 383.31692 209.6
[M+K]+ 404.24626 191.7
[M+H-H2O]+ 348.28036 183.1
[M+HCOO]- 410.28130 204.6
[M+CH3COO]- 424.29695 201.4
[M+Na-2H]- 386.25777 191.4
[M]+ 365.28255 184.7
[M]- 365.28365 184.7
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.