CID 497802

Lindechunine b

Structural Information

Molecular Formula
C18H15NO5
SMILES
C1CN[C@H]2CC3=CC4=C(C(=C3C5=C2C1=CC6=C5OCO6)O)OCO4
InChI
InChI=1S/C18H15NO5/c20-16-14-9(5-12-18(16)24-7-22-12)3-10-13-8(1-2-19-10)4-11-17(15(13)14)23-6-21-11/h4-5,10,19-20H,1-3,6-7H2/t10-/m0/s1
InChIKey
BHCFQRZCSLOBQJ-JTQLQIEISA-N
Compound name
(12S)-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.09503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 163.5
[M+Na]+ 348.08425 171.8
[M-H]- 324.08775 169.6
[M+NH4]+ 343.12885 178.2
[M+K]+ 364.05819 170.7
[M+H-H2O]+ 308.09229 158.6
[M+HCOO]- 370.09323 170.7
[M+CH3COO]- 384.10888 174.1
[M+Na-2H]- 346.06970 168.0
[M]+ 325.09448 165.2
[M]- 325.09558 165.2
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.