CID 5912027

Nsc646648

Structural Information

Molecular Formula
C18H15NO3
SMILES
CCOC(=O)/C=C/N1C2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C18H15NO3/c1-2-22-17(20)11-12-19-15-9-5-3-7-13(15)18(21)14-8-4-6-10-16(14)19/h3-12H,2H2,1H3/b12-11+
InChIKey
LMVRUTREENWZFD-VAWYXSNFSA-N
Compound name
ethyl (E)-3-(9-oxoacridin-10-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 165.7
[M+Na]+ 316.09442 176.0
[M-H]- 292.09792 170.2
[M+NH4]+ 311.13902 182.0
[M+K]+ 332.06836 170.6
[M+H-H2O]+ 276.10246 157.2
[M+HCOO]- 338.10340 186.9
[M+CH3COO]- 352.11905 202.8
[M+Na-2H]- 314.07987 173.0
[M]+ 293.10465 170.5
[M]- 293.10575 170.5
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.