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]+ 334.180156 179.8
[M+Na]+ 356.162098 186.0
[M-H]- 332.165604 190.7
[M+NH4]+ 351.206703 195.8
[M+K]+ 372.136038 183.7
[M+H-H2O]+ 316.170140 172.8
[M+HCOO]- 378.171081 195.0
[M+CH3COO]- 392.186731 189.9
[M+Na-2H]- 354.147546 181.5
[M]+ 333.17233142 175.6
[M]- 333.17342858 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.