CID 3071218

87540-40-7

Structural Information

Molecular Formula
C17H14N4O
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C17H14N4O/c1-2-22-17-14-11-7-6-10-13(14)16-19-18-15(21(16)20-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
YCVCJAVLEBGWBT-UHFFFAOYSA-N
Compound name
6-ethoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.11676 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12404 167.8
[M+Na]+ 313.10598 179.4
[M-H]- 289.10948 171.8
[M+NH4]+ 308.15058 181.6
[M+K]+ 329.07992 172.8
[M+H-H2O]+ 273.11402 156.8
[M+HCOO]- 335.11496 187.4
[M+CH3COO]- 349.13061 179.3
[M+Na-2H]- 311.09143 175.7
[M]+ 290.11621 171.9
[M]- 290.11731 171.9
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