CID 367597

Nsc637429

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3)C)C)C#N
InChI
InChI=1S/C20H18N2O3/c1-4-25-18(23)11-22-17-8-6-5-7-14(17)20(24)15-9-12(2)13(3)16(10-21)19(15)22/h5-9H,4,11H2,1-3H3
InChIKey
URMUWYSCMGSTPZ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyano-2,3-dimethyl-9-oxoacridin-10-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 182.1
[M+Na]+ 357.12096 195.5
[M-H]- 333.12446 185.7
[M+NH4]+ 352.16556 195.5
[M+K]+ 373.09490 187.9
[M+H-H2O]+ 317.12900 167.5
[M+HCOO]- 379.12994 198.6
[M+CH3COO]- 393.14559 223.8
[M+Na-2H]- 355.10641 185.0
[M]+ 334.13119 183.2
[M]- 334.13229 183.2
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.