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 195.9
[M+Na]+ 388.27232 199.1
[M-H]- 364.27582 201.8
[M+NH4]+ 383.31692 210.5
[M+K]+ 404.24626 193.3
[M+H-H2O]+ 348.28036 184.0
[M+HCOO]- 410.28130 205.1
[M+CH3COO]- 424.29695 202.3
[M+Na-2H]- 386.25777 191.4
[M]+ 365.28255 185.7
[M]- 365.28365 185.7
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.