CID 13294619

93464-34-7

Structural Information

Molecular Formula
C22H31N3O
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCN5CCOCC5
InChI
InChI=1S/C22H31N3O/c1-2-9-21-20(7-1)23-19-8-5-6-18(19)22(10-3-4-11-22)25(21)13-12-24-14-16-26-17-15-24/h1-2,7,9,18H,3-6,8,10-17H2
InChIKey
TYLLWPZSHLOXSP-UHFFFAOYSA-N
Compound name
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.253976 187.9
[M+Na]+ 376.235918 191.1
[M-H]- 352.239424 194.2
[M+NH4]+ 371.280523 201.4
[M+K]+ 392.209858 187.2
[M+H-H2O]+ 336.243960 176.4
[M+HCOO]- 398.244901 197.1
[M+CH3COO]- 412.260551 194.9
[M+Na-2H]- 374.221366 185.6
[M]+ 353.24615142 178.6
[M]- 353.24724858 178.6
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.