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]+ 345.159746 182.7
[M+Na]+ 367.141688 189.7
[M-H]- 343.145194 189.9
[M+NH4]+ 362.186293 197.9
[M+K]+ 383.115628 184.0
[M+H-H2O]+ 327.149730 173.9
[M+HCOO]- 389.150671 201.4
[M+CH3COO]- 403.166321 192.9
[M+Na-2H]- 365.127136 184.1
[M]+ 344.15192142 182.7
[M]- 344.15301858 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.