CID 6410692

1-(2,3,4-trimethoxyphenoxy)phthalazine

Structural Information

Molecular Formula
C17H16N2O4
SMILES
COC1=C(C(=C(C=C1)OC2=NN=CC3=CC=CC=C32)OC)OC
InChI
InChI=1S/C17H16N2O4/c1-20-13-8-9-14(16(22-3)15(13)21-2)23-17-12-7-5-4-6-11(12)10-18-19-17/h4-10H,1-3H3
InChIKey
GHALVTABSGAKBT-UHFFFAOYSA-N
Compound name
1-(2,3,4-trimethoxyphenoxy)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.7
[M+Na]+ 335.10022 181.4
[M-H]- 311.10372 177.1
[M+NH4]+ 330.14482 184.6
[M+K]+ 351.07416 178.2
[M+H-H2O]+ 295.10826 161.3
[M+HCOO]- 357.10920 192.6
[M+CH3COO]- 371.12485 206.9
[M+Na-2H]- 333.08567 178.4
[M]+ 312.11045 178.5
[M]- 312.11155 178.5
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.