CID 38072

Cridanimod

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
InChIKey
UOMKBIIXHQIERR-UHFFFAOYSA-N
Compound name
2-(9-oxoacridin-10-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

242
References

1294
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.5
[M+Na]+ 276.06312 163.4
[M-H]- 252.06662 156.2
[M+NH4]+ 271.10772 169.7
[M+K]+ 292.03706 158.4
[M+H-H2O]+ 236.07116 145.0
[M+HCOO]- 298.07210 173.1
[M+CH3COO]- 312.08775 165.3
[M+Na-2H]- 274.04857 161.1
[M]+ 253.07335 155.5
[M]- 253.07445 155.5
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.