CID 3000863

Roxiamine c

Structural Information

Molecular Formula
C16H17NO4
SMILES
C[C@@H](CCOC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)O
InChI
InChI=1S/C16H17NO4/c1-10(18)5-7-20-11-3-4-12-14(9-11)17-16-13(6-8-21-16)15(12)19-2/h3-4,6,8-10,18H,5,7H2,1-2H3/t10-/m0/s1
InChIKey
IALIPUQBVDHUND-JTQLQIEISA-N
Compound name
(2S)-4-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.1
[M+Na]+ 310.10497 173.9
[M-H]- 286.10847 168.3
[M+NH4]+ 305.14957 180.8
[M+K]+ 326.07891 171.6
[M+H-H2O]+ 270.11301 157.2
[M+HCOO]- 332.11395 184.2
[M+CH3COO]- 346.12960 199.9
[M+Na-2H]- 308.09042 170.1
[M]+ 287.11520 171.8
[M]- 287.11630 171.8
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.