CID 13157288

Brn 5750720

Structural Information

Molecular Formula
C16H16BrNO2
SMILES
CCOC(C)C1=CC2=C(N=C3C=CC(=CC3=C2O1)Br)C
InChI
InChI=1S/C16H16BrNO2/c1-4-19-10(3)15-8-12-9(2)18-14-6-5-11(17)7-13(14)16(12)20-15/h5-8,10H,4H2,1-3H3
InChIKey
OHPXQTWGKLZREH-UHFFFAOYSA-N
Compound name
8-bromo-2-(1-ethoxyethyl)-4-methylfuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03644 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04372 172.3
[M+Na]+ 356.02566 186.1
[M-H]- 332.02916 180.5
[M+NH4]+ 351.07026 191.9
[M+K]+ 371.99960 175.8
[M+H-H2O]+ 316.03370 171.8
[M+HCOO]- 378.03464 191.0
[M+CH3COO]- 392.05029 186.8
[M+Na-2H]- 354.01111 178.1
[M]+ 333.03589 197.3
[M]- 333.03699 197.3
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.