CID 134816161

Salvianan d

Structural Information

Molecular Formula
C20H21NO2
SMILES
C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=CO3
InChI
InChI=1S/C20H21NO2/c1-11-9-22-18-13-6-7-14-12(5-4-8-20(14,2)3)16(13)17-19(15(11)18)23-10-21-17/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKey
KJTJMPLOHNMNKP-NSHDSACASA-N
Compound name
(5R)-5,17,17-trimethyl-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

307.15723 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 171.5
[M+Na]+ 330.146448 183.1
[M-H]- 306.149954 179.5
[M+NH4]+ 325.191053 192.6
[M+K]+ 346.120388 179.1
[M+H-H2O]+ 290.154490 165.0
[M+HCOO]- 352.155431 187.0
[M+CH3COO]- 366.171081 184.1
[M+Na-2H]- 328.131896 175.3
[M]+ 307.15668142 175.4
[M]- 307.15777858 175.4
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

No patent data available for this compound.