CID 110521

68541-03-7

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CC(=O)N(C=CC=C1C(=O)N(C(=O)N(C1=O)C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H17N3O4/c1-12(21)20(13-8-5-4-6-9-13)11-7-10-14-15(22)18(2)17(24)19(3)16(14)23/h4-11H,1-3H3
InChIKey
NOXHIROCWZYZHM-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)prop-1-enyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 175.6
[M+Na]+ 350.11114 186.4
[M+NH4]+ 345.15574 179.5
[M+K]+ 366.08508 181.6
[M-H]- 326.11464 176.4
[M+Na-2H]- 348.09659 179.1
[M]+ 327.12137 176.8
[M]- 327.12247 176.8
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.