CID 369821

Nsc642016

Structural Information

Molecular Formula
C11H11N7O3
SMILES
C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)NC2=NNC(=N2)N
InChI
InChI=1S/C11H11N7O3/c12-7(19)5-3-1-2-4-6(5)14-8(20)9(21)15-11-16-10(13)17-18-11/h1-4H,(H2,12,19)(H,14,20)(H4,13,15,16,17,18,21)
InChIKey
GJECZWIUEFUNOS-UHFFFAOYSA-N
Compound name
N'-(5-amino-1H-1,2,4-triazol-3-yl)-N-(2-carbamoylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09235 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09963 161.1
[M+Na]+ 312.08157 166.5
[M-H]- 288.08507 163.1
[M+NH4]+ 307.12617 171.5
[M+K]+ 328.05551 163.6
[M+H-H2O]+ 272.08961 151.4
[M+HCOO]- 334.09055 183.1
[M+CH3COO]- 348.10620 206.0
[M+Na-2H]- 310.06702 163.7
[M]+ 289.09180 155.8
[M]- 289.09290 155.8
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.