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]+ 281.09206 162.6
[M+Na]+ 303.07400 178.7
[M+NH4]+ 298.11860 170.4
[M+K]+ 319.04794 171.1
[M-H]- 279.07750 166.3
[M+Na-2H]- 301.05945 172.1
[M]+ 280.08423 166.0
[M]- 280.08533 166.0
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.