CID 371566

Nsc645895

Structural Information

Molecular Formula
C17H19N3O5
SMILES
CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C17H19N3O5/c1-4-9-6-5-7-10(8(2)3)12(9)18-16(24)13(21)11-14(22)19-17(25)20-15(11)23/h5-8,11H,4H2,1-3H3,(H,18,24)(H2,19,20,22,23,25)
InChIKey
WODIOYYWVPMYGJ-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-propan-2-ylphenyl)-2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13976 179.0
[M+Na]+ 368.12170 184.1
[M-H]- 344.12520 180.2
[M+NH4]+ 363.16630 187.6
[M+K]+ 384.09564 180.1
[M+H-H2O]+ 328.12974 170.7
[M+HCOO]- 390.13068 192.3
[M+CH3COO]- 404.14633 213.2
[M+Na-2H]- 366.10715 175.6
[M]+ 345.13193 175.3
[M]- 345.13303 175.3
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.