CID 103645

4'-(propylamino)methylspiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCCNCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H23NO2/c1-2-13-22-14-18-15-23-21(24-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21/h3-12,18,22H,2,13-15H2,1H3
InChIKey
WWKXVHWOTWANMB-UHFFFAOYSA-N
Compound name
N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 180.0
[M+Na]+ 344.16210 191.6
[M+NH4]+ 339.20670 190.0
[M+K]+ 360.13604 184.3
[M-H]- 320.16560 187.2
[M+Na-2H]- 342.14755 186.0
[M]+ 321.17233 184.1
[M]- 321.17343 184.1
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.