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]+ 322.180156 176.7
[M+Na]+ 344.162098 188.7
[M-H]- 320.165604 184.9
[M+NH4]+ 339.206703 197.6
[M+K]+ 360.136038 184.5
[M+H-H2O]+ 304.170140 170.3
[M+HCOO]- 366.171081 191.8
[M+CH3COO]- 380.186731 189.2
[M+Na-2H]- 342.147546 179.3
[M]+ 321.17233142 181.3
[M]- 321.17342858 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.