CID 407731

1177419-85-0

Structural Information

Molecular Formula
C18H25NO2
SMILES
C[N+]1(CCC23CCCCC2C1CC4=C3C=C(C=C4)OC)[O-]
InChI
InChI=1S/C18H25NO2/c1-19(20)10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(21-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChIKey
ZIZQARJISFQDMO-UHFFFAOYSA-N
Compound name
4-methoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 168.5
[M+Na]+ 310.17776 173.1
[M-H]- 286.18126 170.7
[M+NH4]+ 305.22236 188.1
[M+K]+ 326.15170 163.7
[M+H-H2O]+ 270.18580 163.7
[M+HCOO]- 332.18674 179.0
[M+CH3COO]- 346.20239 194.3
[M+Na-2H]- 308.16321 175.3
[M]+ 287.18799 160.9
[M]- 287.18909 160.9
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.