CID 103810

Spiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(isopropylamino)methyl-, maleate

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC(C)NCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H23NO2/c1-15(2)22-13-18-14-23-21(24-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21/h3-12,15,18,22H,13-14H2,1-2H3
InChIKey
CUXQXVKADJSHQG-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-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.7
[M+Na]+ 344.16210 190.9
[M+NH4]+ 339.20670 189.5
[M+K]+ 360.13604 184.4
[M-H]- 320.16560 186.7
[M+Na-2H]- 342.14755 185.4
[M]+ 321.17233 183.6
[M]- 321.17343 183.6
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.