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

5
Patents

336.12225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12953 178.5
[M+Na]+ 359.11147 189.5
[M-H]- 335.11497 181.5
[M+NH4]+ 354.15607 189.8
[M+K]+ 375.08541 183.4
[M+H-H2O]+ 319.11951 167.7
[M+HCOO]- 381.12045 196.5
[M+CH3COO]- 395.13610 188.9
[M+Na-2H]- 357.09692 185.0
[M]+ 336.12170 184.3
[M]- 336.12280 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