CID 13157291

Brn 5756665

Structural Information

Molecular Formula
C19H22BrNO2
SMILES
CC1=C2C=C(OC2=C3C=C(C=CC3=N1)Br)C(C)OCCC(C)C
InChI
InChI=1S/C19H22BrNO2/c1-11(2)7-8-22-13(4)18-10-15-12(3)21-17-6-5-14(20)9-16(17)19(15)23-18/h5-6,9-11,13H,7-8H2,1-4H3
InChIKey
UBZUUHXSCSULTG-UHFFFAOYSA-N
Compound name
8-bromo-4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0834 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09068 181.3
[M+Na]+ 398.07262 186.0
[M+NH4]+ 393.11722 185.9
[M+K]+ 414.04656 186.2
[M-H]- 374.07612 183.3
[M+Na-2H]- 396.05807 182.2
[M]+ 375.08285 181.5
[M]- 375.08395 181.5
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.