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]+ 322.180156 176.3
[M+Na]+ 344.162098 182.6
[M-H]- 320.165604 185.8
[M+NH4]+ 339.206703 192.8
[M+K]+ 360.136038 181.9
[M+H-H2O]+ 304.170140 170.3
[M+HCOO]- 366.171081 194.7
[M+CH3COO]- 380.186731 187.1
[M+Na-2H]- 342.147546 182.8
[M]+ 321.17233142 175.1
[M]- 321.17342858 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.