CID 13294615

93464-30-3

Structural Information

Molecular Formula
C23H33N3O
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCCN5CCOCC5
InChI
InChI=1S/C23H33N3O/c1-2-10-22-21(8-1)24-20-9-5-7-19(20)23(11-3-4-12-23)26(22)14-6-13-25-15-17-27-18-16-25/h1-2,8,10,19H,3-7,9,11-18H2
InChIKey
JHKYVAUXCHWDTK-UHFFFAOYSA-N
Compound name
4-(3-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.26236 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 196.2
[M+Na]+ 390.25158 204.6
[M+NH4]+ 385.29618 205.1
[M+K]+ 406.22552 199.4
[M-H]- 366.25508 200.8
[M+Na-2H]- 388.23703 199.2
[M]+ 367.26181 198.7
[M]- 367.26291 198.7
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.