CID 13294620

93464-35-8

Structural Information

Molecular Formula
C23H33N3
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C23H33N3/c1-6-15-25(16-7-1)17-18-26-22-12-3-2-10-21(22)24-20-11-8-9-19(20)23(26)13-4-5-14-23/h2-3,10,12,19H,1,4-9,11,13-18H2
InChIKey
CVEFJTDIBXOIRO-UHFFFAOYSA-N
Compound name
5-(2-piperidin-1-ylethyl)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

351.26746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.27474 191.7
[M+Na]+ 374.25668 200.3
[M+NH4]+ 369.30128 201.3
[M+K]+ 390.23062 194.4
[M-H]- 350.26018 195.7
[M+Na-2H]- 372.24213 195.9
[M]+ 351.26691 194.1
[M]- 351.26801 194.1
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.