CID 103641

Spiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(methylamino)methyl-, 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]+ 294.148846 167.2
[M+Na]+ 316.130788 174.4
[M-H]- 292.134294 177.1
[M+NH4]+ 311.175393 184.9
[M+K]+ 332.104728 174.1
[M+H-H2O]+ 276.138830 161.7
[M+HCOO]- 338.139771 186.4
[M+CH3COO]- 352.155421 178.9
[M+Na-2H]- 314.116236 174.8
[M]+ 293.14102142 165.6
[M]- 293.14211858 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.