CID 419775

Pavine(1+)

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4C(N3)CC2=C1)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3
InChIKey
SRSPZLZVGPJHJH-UHFFFAOYSA-N
Compound name
4,5,12,13-tetramethoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

341.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.3
[M+Na]+ 364.15194 188.2
[M-H]- 340.15544 182.1
[M+NH4]+ 359.19654 195.7
[M+K]+ 380.12588 183.9
[M+H-H2O]+ 324.15998 171.6
[M+HCOO]- 386.16092 193.2
[M+CH3COO]- 400.17657 189.8
[M+Na-2H]- 362.13739 185.3
[M]+ 341.16217 184.2
[M]- 341.16327 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe