CID 3071233

1,2,4-triazolo(3,4-a)phthalazine, 6-(2-methoxyethoxy)-3-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C19H18N4O3
SMILES
COCCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H18N4O3/c1-24-11-12-26-19-16-6-4-3-5-15(16)18-21-20-17(23(18)22-19)13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3
InChIKey
JRAUUVUQPGLRCF-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxy)-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

350.13788 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 183.3
[M+Na]+ 373.127098 194.2
[M-H]- 349.130604 187.3
[M+NH4]+ 368.171703 194.6
[M+K]+ 389.101038 188.6
[M+H-H2O]+ 333.135140 171.8
[M+HCOO]- 395.136081 202.3
[M+CH3COO]- 409.151731 193.8
[M+Na-2H]- 371.112546 189.4
[M]+ 350.13733142 191.0
[M]- 350.13842858 191.0
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