CID 68085

Dictamnine

Structural Information

Molecular Formula
C12H9NO2
SMILES
COC1=C2C=COC2=NC3=CC=CC=C31
InChI
InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
InChIKey
WIONIXOBNMDJFJ-UHFFFAOYSA-N
Compound name
4-methoxyfuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

80
References

558
Patents

199.06332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.070596 137.8
[M+Na]+ 222.052538 149.8
[M-H]- 198.056044 143.7
[M+NH4]+ 217.097143 158.8
[M+K]+ 238.026478 147.4
[M+H-H2O]+ 182.060580 131.5
[M+HCOO]- 244.061521 161.6
[M+CH3COO]- 258.077171 153.0
[M+Na-2H]- 220.037986 148.2
[M]+ 199.06277142 143.3
[M]- 199.06386858 143.3
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