CID 134816175

Salvianan b

Structural Information

Molecular Formula
C19H15NO2
SMILES
C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=CO3
InChI
InChI=1S/C19H15NO2/c1-10-4-3-5-13-12(10)6-7-14-16(13)17-19(22-9-20-17)15-11(2)8-21-18(14)15/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChIKey
HYGADCBNYXSYKE-NSHDSACASA-N
Compound name
(5R)-5,17-dimethyl-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

289.1103 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 164.3
[M+Na]+ 312.09952 178.3
[M-H]- 288.10302 173.6
[M+NH4]+ 307.14412 184.5
[M+K]+ 328.07346 174.4
[M+H-H2O]+ 272.10756 158.4
[M+HCOO]- 334.10850 184.6
[M+CH3COO]- 348.12415 178.6
[M+Na-2H]- 310.08497 170.6
[M]+ 289.10975 172.1
[M]- 289.11085 172.1
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.