CID 118737

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

Structural Information

Molecular Formula
C22H23NO3
SMILES
C1COCCN1CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C22H23NO3/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)25-16-19(26-22)15-23-11-13-24-14-12-23/h1-10,19H,11-16H2
InChIKey
BTHGITWKFRVXEH-UHFFFAOYSA-N
Compound name
4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 190.6
[M+Na]+ 372.15702 202.9
[M+NH4]+ 367.20162 200.2
[M+K]+ 388.13096 195.9
[M-H]- 348.16052 199.4
[M+Na-2H]- 370.14247 195.8
[M]+ 349.16725 195.2
[M]- 349.16835 195.2
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.