CID 6328451

81816-85-5

Structural Information

Molecular Formula
C19H22NO2
SMILES
CC[N+](C)(C1C=CC2=CC=CC=C2O1)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22NO2/c1-3-20(2,21-15-16-9-5-4-6-10-16)19-14-13-17-11-7-8-12-18(17)22-19/h4-14,19H,3,15H2,1-2H3/q+1
InChIKey
NTLXGHCWULWSGW-UHFFFAOYSA-N
Compound name
2H-chromen-2-yl-ethyl-methyl-phenylmethoxyazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16504 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17232 170.2
[M+Na]+ 319.15426 175.5
[M-H]- 295.15776 179.1
[M+NH4]+ 314.19886 184.9
[M+K]+ 335.12820 167.6
[M+H-H2O]+ 279.16230 164.2
[M+HCOO]- 341.16324 191.0
[M+CH3COO]- 355.17889 201.5
[M+Na-2H]- 317.13971 181.4
[M]+ 296.16449 170.9
[M]- 296.16559 170.9
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.