CID 102551680

5-{[1-(propan-2-yl)-1h-1,2,3-triazol-4-yl]methyl}imidazolidine-2,4-dione

Structural Information

Molecular Formula
C9H13N5O2
SMILES
CC(C)N1C=C(N=N1)CC2C(=O)NC(=O)N2
InChI
InChI=1S/C9H13N5O2/c1-5(2)14-4-6(12-13-14)3-7-8(15)11-9(16)10-7/h4-5,7H,3H2,1-2H3,(H2,10,11,15,16)
InChIKey
BGPJPKNVFRGQJH-UHFFFAOYSA-N
Compound name
5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10692 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11420 151.4
[M+Na]+ 246.09614 160.1
[M+NH4]+ 241.14074 155.4
[M+K]+ 262.07008 161.0
[M-H]- 222.09964 148.7
[M+Na-2H]- 244.08159 153.2
[M]+ 223.10637 151.2
[M]- 223.10747 151.2
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.