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 189.7
[M-H]- 343.14519 189.9
[M+NH4]+ 362.18629 197.9
[M+K]+ 383.11563 184.0
[M+H-H2O]+ 327.14973 173.9
[M+HCOO]- 389.15067 201.4
[M+CH3COO]- 403.16632 192.9
[M+Na-2H]- 365.12714 184.1
[M]+ 344.15192 182.7
[M]- 344.15302 182.7
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.