CID 196980

Evolitrine

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC
InChI
InChI=1S/C13H11NO3/c1-15-8-3-4-9-11(7-8)14-13-10(5-6-17-13)12(9)16-2/h3-7H,1-2H3
InChIKey
TWGHMXOYRUTQOL-UHFFFAOYSA-N
Compound name
4,7-dimethoxyfuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

200
Patents

229.0739 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 146.0
[M+Na]+ 252.063118 158.2
[M-H]- 228.066624 152.1
[M+NH4]+ 247.107723 166.0
[M+K]+ 268.037058 156.3
[M+H-H2O]+ 212.071160 139.5
[M+HCOO]- 274.072101 169.6
[M+CH3COO]- 288.087751 160.9
[M+Na-2H]- 250.048566 155.2
[M]+ 229.07335142 153.7
[M]- 229.07444858 153.7
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

patents stripe