CID 155977744

1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H13N5O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N4C=C(N=N4)C(=O)O
InChI
InChI=1S/C16H13N5O5/c22-13-4-3-12(14(23)17-13)20-6-8-5-9(1-2-10(8)15(20)24)21-7-11(16(25)26)18-19-21/h1-2,5,7,12H,3-4,6H2,(H,25,26)(H,17,22,23)
InChIKey
NEYNYGFDZCZDNP-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09167 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09895 181.2
[M+Na]+ 378.08089 189.3
[M-H]- 354.08439 184.0
[M+NH4]+ 373.12549 189.8
[M+K]+ 394.05483 184.0
[M+H-H2O]+ 338.08893 171.7
[M+HCOO]- 400.08987 192.5
[M+CH3COO]- 414.10552 189.5
[M+Na-2H]- 376.06634 177.5
[M]+ 355.09112 178.2
[M]- 355.09222 178.2
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.