CID 363868

Nsc629158

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C2=C(C=C1)C3=C(C(=C(C4=C3C2=NCC4)OC)OC)OC)OC
InChI
InChI=1S/C20H21NO5/c1-22-12-7-6-10-14-13-11(17(23-2)20(26-5)19(14)25-4)8-9-21-16(13)15(10)18(12)24-3/h6-7H,8-9H2,1-5H3
InChIKey
WUUYMELSWAUDFK-UHFFFAOYSA-N
Compound name
6,7,8,13,14-pentamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10(15),11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 183.6
[M+Na]+ 378.13119 194.2
[M-H]- 354.13469 188.9
[M+NH4]+ 373.17579 201.1
[M+K]+ 394.10513 191.3
[M+H-H2O]+ 338.13923 175.8
[M+HCOO]- 400.14017 202.2
[M+CH3COO]- 414.15582 220.0
[M+Na-2H]- 376.11664 187.0
[M]+ 355.14142 194.8
[M]- 355.14252 194.8
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.