CID 13157290

Brn 5754246

Structural Information

Molecular Formula
C18H20BrNO2
SMILES
CCCCOC(C)C1=CC2=C(N=C3C=CC(=CC3=C2O1)Br)C
InChI
InChI=1S/C18H20BrNO2/c1-4-5-8-21-12(3)17-10-14-11(2)20-16-7-6-13(19)9-15(16)18(14)22-17/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKey
OGEGUQWVPWADFL-UHFFFAOYSA-N
Compound name
8-bromo-2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.06775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07503 181.9
[M+Na]+ 384.05697 194.9
[M-H]- 360.06047 189.7
[M+NH4]+ 379.10157 200.4
[M+K]+ 400.03091 184.1
[M+H-H2O]+ 344.06501 181.1
[M+HCOO]- 406.06595 199.9
[M+CH3COO]- 420.08160 213.4
[M+Na-2H]- 382.04242 186.6
[M]+ 361.06720 207.5
[M]- 361.06830 207.5
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.