CID 438524

Nsc642944

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C3=C1CC4=CC=CC=C43
InChI
InChI=1S/C19H14ClNO2/c1-2-23-19(22)18-15-9-11-5-3-4-6-13(11)17(15)14-10-12(20)7-8-16(14)21-18/h3-8,10H,2,9H2,1H3
InChIKey
RNWPZTFMLYNAEU-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-7H-indeno[2,1-c]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07132 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 174.5
[M+Na]+ 346.06054 185.8
[M-H]- 322.06404 179.9
[M+NH4]+ 341.10514 193.4
[M+K]+ 362.03448 178.8
[M+H-H2O]+ 306.06858 167.3
[M+HCOO]- 368.06952 189.3
[M+CH3COO]- 382.08517 186.4
[M+Na-2H]- 344.04599 178.8
[M]+ 323.07077 180.4
[M]- 323.07187 180.4
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.