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]+ 351.14516 183.3
[M+Na]+ 373.12710 194.2
[M-H]- 349.13060 187.3
[M+NH4]+ 368.17170 194.6
[M+K]+ 389.10104 188.6
[M+H-H2O]+ 333.13514 171.8
[M+HCOO]- 395.13608 202.3
[M+CH3COO]- 409.15173 193.8
[M+Na-2H]- 371.11255 189.4
[M]+ 350.13733 191.0
[M]- 350.13843 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