CID 103645

Spiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(propylamino)methyl-, 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 176.3
[M+Na]+ 344.16210 182.6
[M-H]- 320.16560 185.8
[M+NH4]+ 339.20670 192.8
[M+K]+ 360.13604 181.9
[M+H-H2O]+ 304.17014 170.3
[M+HCOO]- 366.17108 194.7
[M+CH3COO]- 380.18673 187.1
[M+Na-2H]- 342.14755 182.8
[M]+ 321.17233 175.1
[M]- 321.17343 175.1
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.