CID 456810

2,3-dihydro-2-(

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCCCCCCOC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C16H20N2O4/c1-2-3-4-5-8-11-22-16(21)18-15(20)13-10-7-6-9-12(13)14(19)17-18/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,19)
InChIKey
PDGVXZRVRLLIQM-UHFFFAOYSA-N
Compound name
heptyl 1,4-dioxo-3H-phthalazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 169.8
[M+Na]+ 327.13152 178.2
[M-H]- 303.13502 170.2
[M+NH4]+ 322.17612 182.8
[M+K]+ 343.10546 173.7
[M+H-H2O]+ 287.13956 161.4
[M+HCOO]- 349.14050 188.1
[M+CH3COO]- 363.15615 201.7
[M+Na-2H]- 325.11697 173.9
[M]+ 304.14175 174.1
[M]- 304.14285 174.1
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.