CID 214698

33837-13-7

Structural Information

Molecular Formula
C15H16N2O5
SMILES
CCCC1(C(=O)NC(=O)N(C1=O)CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O5/c1-2-8-15(10-6-4-3-5-7-10)12(20)16-14(22)17(13(15)21)9-11(18)19/h3-7H,2,8-9H2,1H3,(H,18,19)(H,16,20,22)
InChIKey
OSQNQGAMWRDQHJ-UHFFFAOYSA-N
Compound name
2-(2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 169.5
[M+Na]+ 327.09515 179.9
[M+NH4]+ 322.13975 174.7
[M+K]+ 343.06909 174.0
[M-H]- 303.09865 168.7
[M+Na-2H]- 325.08060 173.8
[M]+ 304.10538 170.4
[M]- 304.10648 170.4
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.