CID 86812165

2-{4-[(2,5-dioxoimidazolidin-4-yl)methyl]-1h-1,2,3-triazol-1-yl}acetamide

Structural Information

Molecular Formula
C8H10N6O3
SMILES
C1=C(N=NN1CC(=O)N)CC2C(=O)NC(=O)N2
InChI
InChI=1S/C8H10N6O3/c9-6(15)3-14-2-4(12-13-14)1-5-7(16)11-8(17)10-5/h2,5H,1,3H2,(H2,9,15)(H2,10,11,16,17)
InChIKey
PANFGXDPMPQOJT-UHFFFAOYSA-N
Compound name
2-[4-[(2,5-dioxoimidazolidin-4-yl)methyl]triazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08144 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08872 152.2
[M+Na]+ 261.07066 160.1
[M-H]- 237.07416 150.4
[M+NH4]+ 256.11526 164.3
[M+K]+ 277.04460 156.5
[M+H-H2O]+ 221.07870 143.0
[M+HCOO]- 283.07964 168.1
[M+CH3COO]- 297.09529 187.2
[M+Na-2H]- 259.05611 151.2
[M]+ 238.08089 147.8
[M]- 238.08199 147.8
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.