CID 6247101

380574-48-1

Structural Information

Molecular Formula
C20H13Cl2NO2
SMILES
C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC(=C(C=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C20H13Cl2NO2/c21-15-8-5-11(10-16(15)22)9-12-6-7-14-18(20(24)25)13-3-1-2-4-17(13)23-19(12)14/h1-5,8-10H,6-7H2,(H,24,25)/b12-9+
InChIKey
SUQNGDIEEBYGGF-FMIVXFBMSA-N
Compound name
(3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.03235 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.03963 184.5
[M+Na]+ 392.02157 195.5
[M-H]- 368.02507 190.0
[M+NH4]+ 387.06617 200.2
[M+K]+ 407.99551 186.4
[M+H-H2O]+ 352.02961 177.7
[M+HCOO]- 414.03055 192.9
[M+CH3COO]- 428.04620 194.8
[M+Na-2H]- 390.00702 185.0
[M]+ 369.03180 187.6
[M]- 369.03290 187.6
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.