CID 135432379

34918-49-5

Structural Information

Molecular Formula
C25H18N2O3
SMILES
CCOC(=O)C1=CC(=C(C2=CC3=CC=CC=C3N=C21)O)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H18N2O3/c1-2-30-25(29)19-14-17(22-12-11-15-7-3-5-9-20(15)26-22)24(28)18-13-16-8-4-6-10-21(16)27-23(18)19/h3-14,28H,2H2,1H3
InChIKey
OCTWLNGWNHRLBM-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxy-2-quinolin-2-ylacridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.13174 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13902 196.4
[M+Na]+ 417.12096 206.1
[M-H]- 393.12446 202.1
[M+NH4]+ 412.16556 206.6
[M+K]+ 433.09490 198.6
[M+H-H2O]+ 377.12900 184.4
[M+HCOO]- 439.12994 212.1
[M+CH3COO]- 453.14559 205.3
[M+Na-2H]- 415.10641 203.2
[M]+ 394.13119 199.8
[M]- 394.13229 199.8
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.