CID 3075421

180537-61-5

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CC1=NC(=CC=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H16N2O4/c1-11-4-3-5-16(18-11)19-17(22)15(21)10-14(20)12-6-8-13(23-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKey
PJDFWTPHEIOQJM-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.0
[M+Na]+ 335.10022 176.9
[M-H]- 311.10372 176.4
[M+NH4]+ 330.14482 183.3
[M+K]+ 351.07416 174.4
[M+H-H2O]+ 295.10826 161.9
[M+HCOO]- 357.10920 192.5
[M+CH3COO]- 371.12485 208.8
[M+Na-2H]- 333.08567 173.2
[M]+ 312.11045 173.4
[M]- 312.11155 173.4
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.