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]+ 338.259076 187.5
[M+Na]+ 360.241018 191.5
[M-H]- 336.244524 194.4
[M+NH4]+ 355.285623 204.7
[M+K]+ 376.214958 185.9
[M+H-H2O]+ 320.249060 176.5
[M+HCOO]- 382.250001 199.7
[M+CH3COO]- 396.265651 195.2
[M+Na-2H]- 358.226466 182.8
[M]+ 337.25125142 178.8
[M]- 337.25234858 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.