CID 134816159

Salvianan a

Structural Information

Molecular Formula
C20H17NO2
SMILES
C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=C(O3)C
InChI
InChI=1S/C20H17NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKey
AIRHUANQVRWHJI-NSHDSACASA-N
Compound name
(5R)-5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.12592 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 170.1
[M+Na]+ 326.11514 184.5
[M-H]- 302.11864 179.6
[M+NH4]+ 321.15974 190.0
[M+K]+ 342.08908 180.3
[M+H-H2O]+ 286.12318 164.3
[M+HCOO]- 348.12412 190.0
[M+CH3COO]- 362.13977 184.2
[M+Na-2H]- 324.10059 175.1
[M]+ 303.12537 178.6
[M]- 303.12647 178.6
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

No patent data available for this compound.