CID 386033

Nsc677596

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3N2)CC(=O)O)C
InChI
InChI=1S/C17H15NO3/c1-9-6-7-13-15(10(9)2)18-16-11(8-14(19)20)4-3-5-12(16)17(13)21/h3-7H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKey
MEQJFSAWXQUBEB-UHFFFAOYSA-N
Compound name
2-(5,6-dimethyl-9-oxo-10H-acridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.3
[M+Na]+ 304.09442 173.7
[M-H]- 280.09792 165.1
[M+NH4]+ 299.13902 178.4
[M+K]+ 320.06836 167.7
[M+H-H2O]+ 264.10246 155.2
[M+HCOO]- 326.10340 180.7
[M+CH3COO]- 340.11905 199.7
[M+Na-2H]- 302.07987 168.0
[M]+ 281.10465 165.1
[M]- 281.10575 165.1
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

patents stripe