CID 3000862

Roxiamine a

Structural Information

Molecular Formula
C18H19NO5
SMILES
C[C@@H](CCOC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)C(=O)OC
InChI
InChI=1S/C18H19NO5/c1-11(18(20)22-3)6-8-23-12-4-5-13-15(10-12)19-17-14(7-9-24-17)16(13)21-2/h4-5,7,9-11H,6,8H2,1-3H3/t11-/m0/s1
InChIKey
WOPDGNHIWBYEOT-NSHDSACASA-N
Compound name
methyl (2S)-4-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxy-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1263 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13358 175.7
[M+Na]+ 352.11552 184.8
[M-H]- 328.11902 181.0
[M+NH4]+ 347.16012 191.0
[M+K]+ 368.08946 183.6
[M+H-H2O]+ 312.12356 168.1
[M+HCOO]- 374.12450 195.9
[M+CH3COO]- 388.14015 209.8
[M+Na-2H]- 350.10097 179.9
[M]+ 329.12575 185.8
[M]- 329.12685 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.