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 167.3
[M+Na]+ 327.09515 174.6
[M-H]- 303.09865 168.7
[M+NH4]+ 322.13975 179.9
[M+K]+ 343.06909 170.6
[M+H-H2O]+ 287.10319 159.7
[M+HCOO]- 349.10413 182.1
[M+CH3COO]- 363.11978 199.3
[M+Na-2H]- 325.08060 168.8
[M]+ 304.10538 165.6
[M]- 304.10648 165.6
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.