CID 391906

Nsc691587

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C)C)C
InChI
InChI=1S/C21H25N3O3/c1-12-13(2)15(4)19(16(5)14(12)3)24-21(26)22(6)20(25)23(24)17-8-10-18(27-7)11-9-17/h8-11H,1-7H3
InChIKey
WQMQKRHQGOKJGE-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-methyl-2-(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

367.1896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 188.1
[M+Na]+ 390.178818 202.0
[M-H]- 366.182324 196.7
[M+NH4]+ 385.223423 199.9
[M+K]+ 406.152758 196.2
[M+H-H2O]+ 350.186860 178.7
[M+HCOO]- 412.187801 208.8
[M+CH3COO]- 426.203451 223.8
[M+Na-2H]- 388.164266 184.9
[M]+ 367.18905142 196.2
[M]- 367.19014858 196.2
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.