CID 208734

Brn 0718842

Structural Information

Molecular Formula
C20H18N2O5
SMILES
C1=CC=C(C=C1)C(=O)OCCCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O5/c23-16(14-8-3-1-4-9-14)27-13-7-12-20(15-10-5-2-6-11-15)17(24)21-19(26)22-18(20)25/h1-6,8-11H,7,12-13H2,(H2,21,22,24,25,26)
InChIKey
PGWOMRGGCVHKIP-UHFFFAOYSA-N
Compound name
3-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 186.4
[M+Na]+ 389.11080 198.3
[M+NH4]+ 384.15540 191.9
[M+K]+ 405.08474 190.6
[M-H]- 365.11430 188.3
[M+Na-2H]- 387.09625 193.8
[M]+ 366.12103 188.3
[M]- 366.12213 188.3
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.