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

1
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

patents stripe