CID 5903352

Nsc646651

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC2=C(C=C1)N(C3=CC=CC=C3C2=O)/C=C/C(=O)O
InChI
InChI=1S/C17H13NO4/c1-22-11-6-7-15-13(10-11)17(21)12-4-2-3-5-14(12)18(15)9-8-16(19)20/h2-10H,1H3,(H,19,20)/b9-8+
InChIKey
HSEYUTQESBHBCS-CMDGGOBGSA-N
Compound name
(E)-3-(2-methoxy-9-oxoacridin-10-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 163.9
[M+Na]+ 318.07369 174.9
[M-H]- 294.07719 167.6
[M+NH4]+ 313.11829 179.6
[M+K]+ 334.04763 169.7
[M+H-H2O]+ 278.08173 156.0
[M+HCOO]- 340.08267 184.2
[M+CH3COO]- 354.09832 201.6
[M+Na-2H]- 316.05914 170.8
[M]+ 295.08392 168.6
[M]- 295.08502 168.6
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.