CID 497805

19893-96-0

Structural Information

Molecular Formula
C20H21NO5
SMILES
CN1CCC2=C3[C@@H]1CC4=C(C3=C(C5=C2OCO5)OC)C(=C(C=C4)OC)O
InChI
InChI=1S/C20H21NO5/c1-21-7-6-11-15-12(21)8-10-4-5-13(23-2)17(22)14(10)16(15)19(24-3)20-18(11)25-9-26-20/h4-5,12,22H,6-9H2,1-3H3/t12-/m0/s1
InChIKey
WVFYXDXLDUXBOO-LBPRGKRZSA-N
Compound name
(12S)-2,17-dimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),8(20),14(19),15,17-hexaen-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 181.5
[M+Na]+ 378.13119 190.3
[M-H]- 354.13469 186.8
[M+NH4]+ 373.17579 196.2
[M+K]+ 394.10513 188.3
[M+H-H2O]+ 338.13923 173.8
[M+HCOO]- 400.14017 192.0
[M+CH3COO]- 414.15582 191.7
[M+Na-2H]- 376.11664 185.0
[M]+ 355.14142 186.6
[M]- 355.14252 186.6
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