CID 2440044

4-oxo-3-pentyl-3,4-dihydrophthalazine-1-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O
InChI
InChI=1S/C14H16N2O3/c1-2-3-6-9-16-13(17)11-8-5-4-7-10(11)12(15-16)14(18)19/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,19)
InChIKey
QNAOZDDPIAUCHN-UHFFFAOYSA-N
Compound name
4-oxo-3-pentylphthalazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 158.3
[M+Na]+ 283.10532 167.4
[M-H]- 259.10882 159.0
[M+NH4]+ 278.14992 173.1
[M+K]+ 299.07926 163.2
[M+H-H2O]+ 243.11336 150.4
[M+HCOO]- 305.11430 176.9
[M+CH3COO]- 319.12995 195.6
[M+Na-2H]- 281.09077 163.4
[M]+ 260.11555 161.4
[M]- 260.11665 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.