CID 362979

Nsc627510

Structural Information

Molecular Formula
C19H23NO4
SMILES
COC1CC2C(CC1O)CC3=C4C2=NC=CC4=CC(=C3OC)OC
InChI
InChI=1S/C19H23NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-18(12)17)8-16(23-2)19(13)24-3/h4-5,8,11-12,14-15,21H,6-7,9H2,1-3H3
InChIKey
AEGFKXRLKDOCNT-UHFFFAOYSA-N
Compound name
4,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9(17),10,12,14-pentaen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 177.4
[M+Na]+ 352.15194 184.5
[M-H]- 328.15544 179.7
[M+NH4]+ 347.19654 192.9
[M+K]+ 368.12588 180.7
[M+H-H2O]+ 312.15998 168.7
[M+HCOO]- 374.16092 189.5
[M+CH3COO]- 388.17657 186.9
[M+Na-2H]- 350.13739 181.4
[M]+ 329.16217 179.6
[M]- 329.16327 179.6
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.