CID 6533512

380574-56-1

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)O
InChI
InChI=1S/C22H20N2O2/c1-24(2)16-10-7-14(8-11-16)13-15-9-12-18-20(22(25)26)17-5-3-4-6-19(17)23-21(15)18/h3-8,10-11,13H,9,12H2,1-2H3,(H,25,26)/b15-13+
InChIKey
AVUQSBUWLFDCRI-FYWRMAATSA-N
Compound name
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15247 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15975 182.7
[M+Na]+ 367.14169 196.3
[M+NH4]+ 362.18629 191.0
[M+K]+ 383.11563 190.2
[M-H]- 343.14519 187.6
[M+Na-2H]- 365.12714 188.9
[M]+ 344.15192 186.0
[M]- 344.15302 186.0
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.