CID 6410694

Methyl 4-(1-phthalazinyloxy)benzoate

Structural Information

Molecular Formula
C16H12N2O3
SMILES
COC(=O)C1=CC=C(C=C1)OC2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C16H12N2O3/c1-20-16(19)11-6-8-13(9-7-11)21-15-14-5-3-2-4-12(14)10-17-18-15/h2-10H,1H3
InChIKey
FZRKDVZNJHDPOQ-UHFFFAOYSA-N
Compound name
methyl 4-phthalazin-1-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 162.6
[M+Na]+ 303.073998 171.2
[M-H]- 279.077504 167.6
[M+NH4]+ 298.118603 176.3
[M+K]+ 319.047938 167.3
[M+H-H2O]+ 263.082040 152.6
[M+HCOO]- 325.082981 183.0
[M+CH3COO]- 339.098631 174.2
[M+Na-2H]- 301.059446 170.2
[M]+ 280.08423142 165.5
[M]- 280.08532858 165.5
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.