CID 391622

Nsc691108

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2)C)C)C
InChI
InChI=1S/C14H19N3O2/c1-7-8(2)10(4)12(11(5)9(7)3)17-14(19)16(6)13(18)15-17/h1-6H3,(H,15,18)
InChIKey
FDXUUZCYRVAOBZ-UHFFFAOYSA-N
Compound name
4-methyl-1-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 158.9
[M+Na]+ 284.13696 172.9
[M-H]- 260.14046 162.8
[M+NH4]+ 279.18156 174.6
[M+K]+ 300.11090 167.6
[M+H-H2O]+ 244.14500 151.8
[M+HCOO]- 306.14594 179.2
[M+CH3COO]- 320.16159 200.0
[M+Na-2H]- 282.12241 158.1
[M]+ 261.14719 163.2
[M]- 261.14829 163.2
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.