CID 3071231

87540-57-6

Structural Information

Molecular Formula
C18H16N4O3
SMILES
COC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCCO
InChI
InChI=1S/C18H16N4O3/c1-24-13-8-6-12(7-9-13)16-19-20-17-14-4-2-3-5-15(14)18(21-22(16)17)25-11-10-23/h2-9,23H,10-11H2,1H3
InChIKey
WWHFDWHQNXMQOS-UHFFFAOYSA-N
Compound name
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.12225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.129526 178.5
[M+Na]+ 359.111468 189.5
[M-H]- 335.114974 181.5
[M+NH4]+ 354.156073 189.8
[M+K]+ 375.085408 183.4
[M+H-H2O]+ 319.119510 167.7
[M+HCOO]- 381.120451 196.5
[M+CH3COO]- 395.136101 188.9
[M+Na-2H]- 357.096916 185.0
[M]+ 336.12170142 184.3
[M]- 336.12279858 184.3
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

patents stripe