CID 13157286

Brn 5753128

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC1=C2C=C(OC2=C3C=CC=C(C3=N1)Cl)C(C)OC(C)C
InChI
InChI=1S/C17H18ClNO2/c1-9(2)20-11(4)15-8-13-10(3)19-16-12(17(13)21-15)6-5-7-14(16)18/h5-9,11H,1-4H3
InChIKey
KZYKFLWQIAXUJR-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-2-(1-propan-2-yloxyethyl)furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.109876 170.2
[M+Na]+ 326.091818 181.7
[M-H]- 302.095324 175.8
[M+NH4]+ 321.136423 188.2
[M+K]+ 342.065758 177.5
[M+H-H2O]+ 286.099860 164.0
[M+HCOO]- 348.100801 185.3
[M+CH3COO]- 362.116451 182.9
[M+Na-2H]- 324.077266 173.3
[M]+ 303.10205142 179.0
[M]- 303.10314858 179.0
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.