CID 3062462

98124-13-1

Structural Information

Molecular Formula
C20H20N4O3
SMILES
COCCOCC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H20N4O3/c1-25-11-12-27-13-18-16-5-3-4-6-17(16)20-22-21-19(24(20)23-18)14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKey
YSKCSMCLWKOPTC-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxymethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

364.15353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 187.7
[M+Na]+ 387.14275 198.2
[M-H]- 363.14625 191.6
[M+NH4]+ 382.18735 198.4
[M+K]+ 403.11669 192.4
[M+H-H2O]+ 347.15079 176.0
[M+HCOO]- 409.15173 206.4
[M+CH3COO]- 423.16738 197.7
[M+Na-2H]- 385.12820 193.3
[M]+ 364.15298 195.7
[M]- 364.15408 195.7
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