CID 10164

478-13-7

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC
InChI
InChI=1S/C20H21NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-8,18-19,22H,5-6,9-10H2,1-2H3
InChIKey
FLSSXYPKPLFNLK-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

355.14197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.9
[M+Na]+ 378.13119 196.5
[M+NH4]+ 373.17579 191.6
[M+K]+ 394.10513 191.8
[M-H]- 354.13469 188.2
[M+Na-2H]- 376.11664 183.0
[M]+ 355.14142 186.4
[M]- 355.14252 186.4
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