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]+ 304.10988 170.2
[M+Na]+ 326.09182 181.7
[M-H]- 302.09532 175.8
[M+NH4]+ 321.13642 188.2
[M+K]+ 342.06576 177.5
[M+H-H2O]+ 286.09986 164.0
[M+HCOO]- 348.10080 185.3
[M+CH3COO]- 362.11645 182.9
[M+Na-2H]- 324.07727 173.3
[M]+ 303.10205 179.0
[M]- 303.10315 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.