CID 157010215

Structural Information

Molecular Formula
C18H19NO3
SMILES
C[N+]1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4
InChI
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/q+1
InChIKey
FFGRXXWIXREMIT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 165.2
[M+Na]+ 320.12572 180.5
[M+NH4]+ 315.17032 178.0
[M+K]+ 336.09966 173.5
[M-H]- 296.12922 170.9
[M+Na-2H]- 318.11117 168.3
[M]+ 297.13595 169.6
[M]- 297.13705 169.6
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.