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 182.4
[M+Na]+ 384.05697 195.0
[M-H]- 360.06047 190.2
[M+NH4]+ 379.10157 200.7
[M+K]+ 400.03091 184.6
[M+H-H2O]+ 344.06501 181.6
[M+HCOO]- 406.06595 199.4
[M+CH3COO]- 420.08160 214.3
[M+Na-2H]- 382.04242 185.9
[M]+ 361.06720 207.3
[M]- 361.06830 207.3
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.