CID 391627

Nsc691113

Structural Information

Molecular Formula
C22H19N3O4
SMILES
COC1=CC=C(C=C1)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O4/c1-28-19-12-8-17(9-13-19)24-21(26)23(16-6-4-3-5-7-16)22(27)25(24)18-10-14-20(29-2)15-11-18/h3-15H,1-2H3
InChIKey
YHNLCRCLYNKSLY-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 192.1
[M+Na]+ 412.12676 202.7
[M-H]- 388.13026 202.4
[M+NH4]+ 407.17136 200.8
[M+K]+ 428.10070 196.7
[M+H-H2O]+ 372.13480 179.9
[M+HCOO]- 434.13574 213.6
[M+CH3COO]- 448.15139 202.8
[M+Na-2H]- 410.11221 193.1
[M]+ 389.13699 197.0
[M]- 389.13809 197.0
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.