CID 16226788

5-methyl-5-[3-(1h-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C11H10N6O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)N3C=NN=N3
InChI
InChI=1S/C11H10N6O2/c1-11(9(18)13-10(19)14-11)7-3-2-4-8(5-7)17-6-12-15-16-17/h2-6H,1H3,(H2,13,14,18,19)
InChIKey
UERGTDHREWSFSJ-UHFFFAOYSA-N
Compound name
5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08652 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09380 157.1
[M+Na]+ 281.07574 167.2
[M-H]- 257.07924 157.9
[M+NH4]+ 276.12034 169.5
[M+K]+ 297.04968 162.0
[M+H-H2O]+ 241.08378 146.9
[M+HCOO]- 303.08472 172.3
[M+CH3COO]- 317.10037 167.3
[M+Na-2H]- 279.06119 158.9
[M]+ 258.08597 153.8
[M]- 258.08707 153.8
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.