CID 367585

Nsc637417

Structural Information

Molecular Formula
C18H15NO3
SMILES
C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)O
InChI
InChI=1S/C18H15NO3/c20-17-12-7-3-4-8-14(12)19-16-13(17)9-10-5-1-2-6-11(10)15(16)18(21)22/h3-4,7-9H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKey
BWGVLBFEXFBNOO-UHFFFAOYSA-N
Compound name
12-oxo-7,8,9,10-tetrahydro-5H-benzo[b]acridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 163.4
[M+Na]+ 316.09442 172.4
[M-H]- 292.09792 165.8
[M+NH4]+ 311.13902 179.0
[M+K]+ 332.06836 165.8
[M+H-H2O]+ 276.10246 155.4
[M+HCOO]- 338.10340 178.0
[M+CH3COO]- 352.11905 173.8
[M+Na-2H]- 314.07987 170.3
[M]+ 293.10465 161.7
[M]- 293.10575 161.7
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.