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]+ 308.16451 171.5
[M+Na]+ 330.14645 183.1
[M-H]- 306.14995 179.5
[M+NH4]+ 325.19105 192.6
[M+K]+ 346.12039 179.1
[M+H-H2O]+ 290.15449 165.0
[M+HCOO]- 352.15543 187.0
[M+CH3COO]- 366.17108 184.1
[M+Na-2H]- 328.13190 175.3
[M]+ 307.15668 175.4
[M]- 307.15778 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.