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 173.9
[M+Na]+ 350.11114 181.4
[M-H]- 326.11464 179.3
[M+NH4]+ 345.15574 185.7
[M+K]+ 366.08508 177.8
[M+H-H2O]+ 310.11918 164.8
[M+HCOO]- 372.12012 192.9
[M+CH3COO]- 386.13577 214.5
[M+Na-2H]- 348.09659 173.0
[M]+ 327.12137 174.1
[M]- 327.12247 174.1
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.