CID 118186

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

Structural Information

Molecular Formula
C22H23NO2
SMILES
C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C22H23NO2/c1-3-9-20-17(7-1)11-12-18-8-2-4-10-21(18)22(20)24-16-19(25-22)15-23-13-5-6-14-23/h1-4,7-12,19H,5-6,13-16H2
InChIKey
ZTOGWLHBLDTHNE-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 179.8
[M+Na]+ 356.16210 186.0
[M-H]- 332.16560 190.7
[M+NH4]+ 351.20670 195.8
[M+K]+ 372.13604 183.7
[M+H-H2O]+ 316.17014 172.8
[M+HCOO]- 378.17108 195.0
[M+CH3COO]- 392.18673 189.9
[M+Na-2H]- 354.14755 181.5
[M]+ 333.17233 175.6
[M]- 333.17343 175.6
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.