CID 389299

Nsc685119

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=C(O3)N)C#N
InChI
InChI=1S/C15H12N4O3/c16-8-11-13(17)22-12(18-11)6-3-7-19-14(20)9-4-1-2-5-10(9)15(19)21/h1-2,4-5H,3,6-7,17H2
InChIKey
NGDAOSGTADPYMS-UHFFFAOYSA-N
Compound name
5-amino-2-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09094 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 166.5
[M+Na]+ 319.08016 178.4
[M-H]- 295.08366 170.6
[M+NH4]+ 314.12476 180.1
[M+K]+ 335.05410 172.9
[M+H-H2O]+ 279.08820 151.7
[M+HCOO]- 341.08914 184.2
[M+CH3COO]- 355.10479 214.4
[M+Na-2H]- 317.06561 167.0
[M]+ 296.09039 163.8
[M]- 296.09149 163.8
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.