CID 498180

Nsc295609

Structural Information

Molecular Formula
C19H27NO2
SMILES
CN1CCC23CCCCC2C1CC4=C3C(=C(C=C4)OC)OC
InChI
InChI=1S/C19H27NO2/c1-20-11-10-19-9-5-4-6-14(19)15(20)12-13-7-8-16(21-2)18(22-3)17(13)19/h7-8,14-15H,4-6,9-12H2,1-3H3
InChIKey
LSGUAQWHSBQIKX-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-17-methyl-17-azatetracyclo[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

1
Patents

301.2042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 173.8
[M+Na]+ 324.19342 178.9
[M-H]- 300.19692 177.2
[M+NH4]+ 319.23802 192.1
[M+K]+ 340.16736 174.7
[M+H-H2O]+ 284.20146 164.2
[M+HCOO]- 346.20240 184.9
[M+CH3COO]- 360.21805 182.9
[M+Na-2H]- 322.17887 177.1
[M]+ 301.20365 170.5
[M]- 301.20475 170.5
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

patents stripe