CID 103641

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

Structural Information

Molecular Formula
C19H19NO2
SMILES
CNCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C19H19NO2/c1-20-12-16-13-21-19(22-16)17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-11,16,20H,12-13H2,1H3
InChIKey
BYVKPSNGGDDHIY-UHFFFAOYSA-N
Compound name
N-methyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 167.2
[M+Na]+ 316.13079 174.4
[M-H]- 292.13429 177.1
[M+NH4]+ 311.17539 184.9
[M+K]+ 332.10473 174.1
[M+H-H2O]+ 276.13883 161.7
[M+HCOO]- 338.13977 186.4
[M+CH3COO]- 352.15542 178.9
[M+Na-2H]- 314.11624 174.8
[M]+ 293.14102 165.6
[M]- 293.14212 165.6
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.