CID 13294617

93464-32-5

Structural Information

Molecular Formula
C25H37N3
SMILES
CC1CCCCN1CCCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C25H37N3/c1-20-10-4-7-17-27(20)18-9-19-28-24-14-3-2-12-23(24)26-22-13-8-11-21(22)25(28)15-5-6-16-25/h2-3,12,14,20-21H,4-11,13,15-19H2,1H3
InChIKey
DPYXVWXVWATEQD-UHFFFAOYSA-N
Compound name
5-[3-(2-methylpiperidin-1-yl)propyl]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

379.29874 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.30602 200.0
[M+Na]+ 402.28796 202.8
[M-H]- 378.29146 205.6
[M+NH4]+ 397.33256 214.0
[M+K]+ 418.26190 196.7
[M+H-H2O]+ 362.29600 187.9
[M+HCOO]- 424.29694 208.9
[M+CH3COO]- 438.31259 206.0
[M+Na-2H]- 400.27341 195.0
[M]+ 379.29819 190.0
[M]- 379.29929 190.0
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.