CID 497209

15583-41-2

Structural Information

Molecular Formula
C19H19NO5
SMILES
COC1=C2C(=C3C4=C1CCN[C@H]4CC5=C3C(=C(C=C5)O)OC)OCO2
InChI
InChI=1S/C19H19NO5/c1-22-16-10-5-6-20-11-7-9-3-4-12(21)17(23-2)13(9)15(14(10)11)18-19(16)25-8-24-18/h3-4,11,20-21H,5-8H2,1-2H3/t11-/m0/s1
InChIKey
YXEGRGRGBCJQIV-NSHDSACASA-N
Compound name
(12S)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

341.1263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 175.3
[M+Na]+ 364.11552 183.4
[M-H]- 340.11902 179.1
[M+NH4]+ 359.16012 189.7
[M+K]+ 380.08946 180.7
[M+H-H2O]+ 324.12356 168.0
[M+HCOO]- 386.12450 184.8
[M+CH3COO]- 400.14015 185.1
[M+Na-2H]- 362.10097 179.9
[M]+ 341.12575 178.1
[M]- 341.12685 178.1
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