CID 638622

Roxiamine b

Structural Information

Molecular Formula
C18H17NO5
SMILES
C/C(=C\COC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)/C(=O)OC
InChI
InChI=1S/C18H17NO5/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/h4-7,9-10H,8H2,1-3H3/b11-6+
InChIKey
ZLNSISDUWGFDNT-IZZDOVSWSA-N
Compound name
methyl (E)-4-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxy-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 174.7
[M+Na]+ 350.09992 184.2
[M-H]- 326.10342 180.1
[M+NH4]+ 345.14452 190.1
[M+K]+ 366.07386 182.4
[M+H-H2O]+ 310.10796 167.2
[M+HCOO]- 372.10890 195.1
[M+CH3COO]- 386.12455 208.5
[M+Na-2H]- 348.08537 179.0
[M]+ 327.11015 184.0
[M]- 327.11125 184.0
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.