CID 390139

Nsc687207

Structural Information

Molecular Formula
C12H12N4O3
SMILES
CC(=O)N(C(=O)C)N1C(=NNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N4O3/c1-8(17)15(9(2)18)16-11(13-14-12(16)19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,19)
InChIKey
UKOIBKDSOVZTNU-UHFFFAOYSA-N
Compound name
N-acetyl-N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.09094 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 156.0
[M+Na]+ 283.08016 164.2
[M-H]- 259.08366 159.8
[M+NH4]+ 278.12476 170.0
[M+K]+ 299.05410 161.9
[M+H-H2O]+ 243.08820 147.0
[M+HCOO]- 305.08914 177.2
[M+CH3COO]- 319.10479 196.5
[M+Na-2H]- 281.06561 158.4
[M]+ 260.09039 157.0
[M]- 260.09149 157.0
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