CID 495059

Nsc642959

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
CCOC(=O)C1C2C(C3=CC=CC=C3O2)C4=C(N1)C=CC(=C4)Cl
InChI
InChI=1S/C18H16ClNO3/c1-2-22-18(21)16-17-15(11-5-3-4-6-14(11)23-17)12-9-10(19)7-8-13(12)20-16/h3-9,15-17,20H,2H2,1H3
InChIKey
WEXSPHCAMRHHNV-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08188 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 174.4
[M+Na]+ 352.07110 183.7
[M-H]- 328.07460 178.5
[M+NH4]+ 347.11570 191.0
[M+K]+ 368.04504 178.2
[M+H-H2O]+ 312.07914 167.9
[M+HCOO]- 374.08008 184.5
[M+CH3COO]- 388.09573 185.0
[M+Na-2H]- 350.05655 177.7
[M]+ 329.08133 177.5
[M]- 329.08243 177.5
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.