CID 372149

Nsc647103

Structural Information

Molecular Formula
C21H20N2O6
SMILES
COC1=CC=C(C=C1)C(CC2C(=O)NC(=O)NC2=O)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20N2O6/c1-28-14-7-3-12(4-8-14)16(11-17-19(25)22-21(27)23-20(17)26)18(24)13-5-9-15(29-2)10-6-13/h3-10,16-17H,11H2,1-2H3,(H2,22,23,25,26,27)
InChIKey
NSAFTZIBCBPRTA-UHFFFAOYSA-N
Compound name
5-[2,3-bis(4-methoxyphenyl)-3-oxopropyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13214 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13942 191.3
[M+Na]+ 419.12136 196.1
[M-H]- 395.12486 195.3
[M+NH4]+ 414.16596 197.2
[M+K]+ 435.09530 191.6
[M+H-H2O]+ 379.12940 180.8
[M+HCOO]- 441.13034 204.3
[M+CH3COO]- 455.14599 218.6
[M+Na-2H]- 417.10681 189.0
[M]+ 396.13159 189.6
[M]- 396.13269 189.6
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.