CID 13294621

93464-36-9

Structural Information

Molecular Formula
C24H35N3
SMILES
CC1CCCCN1CCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C24H35N3/c1-19-9-4-7-16-26(19)17-18-27-23-13-3-2-11-22(23)25-21-12-8-10-20(21)24(27)14-5-6-15-24/h2-3,11,13,19-20H,4-10,12,14-18H2,1H3
InChIKey
AINANDTVTHPHRI-UHFFFAOYSA-N
Compound name
5-[2-(2-methylpiperidin-1-yl)ethyl]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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.29038 195.7
[M+Na]+ 388.27232 204.4
[M+NH4]+ 383.31692 205.1
[M+K]+ 404.24626 198.4
[M-H]- 364.27582 199.7
[M+Na-2H]- 386.25777 199.4
[M]+ 365.28255 198.1
[M]- 365.28365 198.1
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.