CID 389298

Nsc685118

Structural Information

Molecular Formula
C14H10N4O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=C(O3)N)C#N
InChI
InChI=1S/C14H10N4O3/c15-7-10-12(16)21-11(17-10)5-6-18-13(19)8-3-1-2-4-9(8)14(18)20/h1-4H,5-6,16H2
InChIKey
ABGPKENFJQRORB-UHFFFAOYSA-N
Compound name
5-amino-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 162.6
[M+Na]+ 305.06452 174.9
[M-H]- 281.06802 166.8
[M+NH4]+ 300.10912 176.7
[M+K]+ 321.03846 169.6
[M+H-H2O]+ 265.07256 148.0
[M+HCOO]- 327.07350 180.6
[M+CH3COO]- 341.08915 173.3
[M+Na-2H]- 303.04997 163.6
[M]+ 282.07475 159.6
[M]- 282.07585 159.6
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

No patent data available for this compound.