CID 102004707

Salvianan

Structural Information

Molecular Formula
C21H23NO2
SMILES
C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C
InChI
InChI=1S/C21H23NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)18-20(16(11)19)24-12(2)22-18/h7-8,11H,5-6,9-10H2,1-4H3/t11-/m0/s1
InChIKey
VGFRZPFHPPQFQG-NSHDSACASA-N
Compound name
(5R)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.17288 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 176.7
[M+Na]+ 344.16210 188.7
[M-H]- 320.16560 184.9
[M+NH4]+ 339.20670 197.6
[M+K]+ 360.13604 184.5
[M+H-H2O]+ 304.17014 170.3
[M+HCOO]- 366.17108 191.8
[M+CH3COO]- 380.18673 189.2
[M+Na-2H]- 342.14755 179.3
[M]+ 321.17233 181.3
[M]- 321.17343 181.3
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

No patent data available for this compound.