CID 6069984

Nsc646649

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2/C=C/C(=O)O
InChI
InChI=1S/C16H11NO3/c18-15(19)9-10-17-13-7-3-1-5-11(13)16(20)12-6-2-4-8-14(12)17/h1-10H,(H,18,19)/b10-9+
InChIKey
QCQZQTBAJDIMLO-MDZDMXLPSA-N
Compound name
(E)-3-(9-oxoacridin-10-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07388 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 156.2
[M+Na]+ 288.06310 167.0
[M-H]- 264.06660 159.7
[M+NH4]+ 283.10770 172.9
[M+K]+ 304.03704 161.2
[M+H-H2O]+ 248.07114 148.6
[M+HCOO]- 310.07208 176.7
[M+CH3COO]- 324.08773 168.6
[M+Na-2H]- 286.04855 164.3
[M]+ 265.07333 158.7
[M]- 265.07443 158.7
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.