CID 391623

Nsc691109

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CN1C(=O)N(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H17N3O4/c1-18-16(21)19(12-4-8-14(23-2)9-5-12)20(17(18)22)13-6-10-15(24-3)11-7-13/h4-11H,1-3H3
InChIKey
IOUCDOPSZWUUQD-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 173.7
[M+Na]+ 350.11114 185.6
[M-H]- 326.11464 181.4
[M+NH4]+ 345.15574 185.8
[M+K]+ 366.08508 181.1
[M+H-H2O]+ 310.11918 163.5
[M+HCOO]- 372.12012 196.1
[M+CH3COO]- 386.13577 209.0
[M+Na-2H]- 348.09659 175.4
[M]+ 327.12137 180.0
[M]- 327.12247 180.0
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.