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]+ 220.108046 145.5
[M+Na]+ 242.089988 157.6
[M-H]- 218.093494 149.6
[M+NH4]+ 237.134593 162.4
[M+K]+ 258.063928 153.9
[M+H-H2O]+ 202.098030 137.2
[M+HCOO]- 264.098971 168.5
[M+CH3COO]- 278.114621 188.3
[M+Na-2H]- 240.075436 149.5
[M]+ 219.10022142 148.9
[M]- 219.10131858 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.