CID 215076

Ur 59

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCN1C(=O)N(C(=O)N1C2=CC=CC=C2)C
InChI
InChI=1S/C11H13N3O2/c1-3-13-10(15)12(2)11(16)14(13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey
QMYIZJBNHBKMPW-UHFFFAOYSA-N
Compound name
1-ethyl-4-methyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 145.5
[M+Na]+ 242.08999 157.6
[M-H]- 218.09349 149.6
[M+NH4]+ 237.13459 162.4
[M+K]+ 258.06393 153.9
[M+H-H2O]+ 202.09803 137.2
[M+HCOO]- 264.09897 168.5
[M+CH3COO]- 278.11462 188.3
[M+Na-2H]- 240.07544 149.5
[M]+ 219.10022 148.9
[M]- 219.10132 148.9
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.