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 192.0
[M+Na]+ 390.25158 194.8
[M-H]- 366.25508 198.2
[M+NH4]+ 385.29618 204.9
[M+K]+ 406.22552 190.7
[M+H-H2O]+ 350.25962 180.3
[M+HCOO]- 412.26056 200.9
[M+CH3COO]- 426.27621 198.6
[M+Na-2H]- 388.23703 189.2
[M]+ 367.26181 183.0
[M]- 367.26291 183.0
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.