CID 215068

Bicarbamimide, 2-methyl-3-p-tolyl-

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=CC=C(C=C1)N2C(=O)NC(=O)N2C
InChI
InChI=1S/C10H11N3O2/c1-7-3-5-8(6-4-7)13-10(15)11-9(14)12(13)2/h3-6H,1-2H3,(H,11,14,15)
InChIKey
CWQCZRUTTFRHLC-UHFFFAOYSA-N
Compound name
1-methyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 141.9
[M+Na]+ 228.07435 154.0
[M-H]- 204.07785 144.9
[M+NH4]+ 223.11895 158.7
[M+K]+ 244.04829 149.7
[M+H-H2O]+ 188.08239 134.2
[M+HCOO]- 250.08333 163.7
[M+CH3COO]- 264.09898 182.8
[M+Na-2H]- 226.05980 146.0
[M]+ 205.08458 143.1
[M]- 205.08568 143.1
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

patents stripe