CID 91810656

Apremilast (m23)

Structural Information

Molecular Formula
C10H9NO6
SMILES
C1=CC(=C(C(=C1)NC(=O)CO)C(=O)O)C(=O)O
InChI
InChI=1S/C10H9NO6/c12-4-7(13)11-6-3-1-2-5(9(14)15)8(6)10(16)17/h1-3,12H,4H2,(H,11,13)(H,14,15)(H,16,17)
InChIKey
SWINJNOTXKJEFQ-UHFFFAOYSA-N
Compound name
3-[(2-hydroxyacetyl)amino]phthalic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

239.04298 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05026 147.5
[M+Na]+ 262.03220 153.6
[M-H]- 238.03570 147.4
[M+NH4]+ 257.07680 162.3
[M+K]+ 278.00614 152.1
[M+H-H2O]+ 222.04024 141.5
[M+HCOO]- 284.04118 167.0
[M+CH3COO]- 298.05683 186.8
[M+Na-2H]- 260.01765 149.0
[M]+ 239.04243 146.6
[M]- 239.04353 146.6
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

patents stripe