CID 165944667

2703773-66-2

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCCC1=C(C=C(C=C1)C(=O)O)N2CCC(=O)NC2=O
InChI
InChI=1S/C14H16N2O4/c1-2-3-9-4-5-10(13(18)19)8-11(9)16-7-6-12(17)15-14(16)20/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)(H,15,17,20)
InChIKey
GUYMIZNNWRSPJK-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-propylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 163.9
[M+Na]+ 299.10022 174.8
[M+NH4]+ 294.14482 168.6
[M+K]+ 315.07416 170.3
[M-H]- 275.10372 163.9
[M+Na-2H]- 297.08567 167.3
[M]+ 276.11045 165.0
[M]- 276.11155 165.0
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.