CID 13294618

93464-33-6

Structural Information

Molecular Formula
C22H31N3
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCN5CCCC5
InChI
InChI=1S/C22H31N3/c1-2-11-21-20(9-1)23-19-10-7-8-18(19)22(12-3-4-13-22)25(21)17-16-24-14-5-6-15-24/h1-2,9,11,18H,3-8,10,12-17H2
InChIKey
MZTLYCOYNFIBBZ-UHFFFAOYSA-N
Compound name
5-(2-pyrrolidin-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

337.2518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.25908 187.5
[M+Na]+ 360.24102 191.5
[M-H]- 336.24452 194.4
[M+NH4]+ 355.28562 204.7
[M+K]+ 376.21496 185.9
[M+H-H2O]+ 320.24906 176.5
[M+HCOO]- 382.25000 199.7
[M+CH3COO]- 396.26565 195.2
[M+Na-2H]- 358.22647 182.8
[M]+ 337.25125 178.8
[M]- 337.25235 178.8
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.