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 187.2
[M+Na]+ 398.07262 199.3
[M-H]- 374.07612 194.8
[M+NH4]+ 393.11722 205.0
[M+K]+ 414.04656 188.8
[M+H-H2O]+ 358.08066 186.2
[M+HCOO]- 420.08160 203.8
[M+CH3COO]- 434.09725 217.0
[M+Na-2H]- 396.05807 190.2
[M]+ 375.08285 212.4
[M]- 375.08395 212.4
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.