CID 13157289

Brn 5754245

Structural Information

Molecular Formula
C18H20BrNO2
SMILES
CC1=C2C=C(OC2=C3C=C(C=CC3=N1)Br)C(C)OCC(C)C
InChI
InChI=1S/C18H20BrNO2/c1-10(2)9-21-12(4)17-8-14-11(3)20-16-6-5-13(19)7-15(16)18(14)22-17/h5-8,10,12H,9H2,1-4H3
InChIKey
LRRZEMRABTXCDD-UHFFFAOYSA-N
Compound name
8-bromo-4-methyl-2-[1-(2-methylpropoxy)ethyl]furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.06775 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07503 176.6
[M+Na]+ 384.05697 181.5
[M+NH4]+ 379.10157 181.4
[M+K]+ 400.03091 182.0
[M-H]- 360.06047 178.7
[M+Na-2H]- 382.04242 177.8
[M]+ 361.06720 176.9
[M]- 361.06830 176.9
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.