CID 3071225

1,2,4-triazolo(3,4-a)phthalazine, 3-(3,4-dimethoxyphenyl)-6-ethoxy-

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C19H18N4O3/c1-4-26-19-14-8-6-5-7-13(14)18-21-20-17(23(18)22-19)12-9-10-15(24-2)16(11-12)25-3/h5-11H,4H2,1-3H3
InChIKey
OHNXXAVUGGTUCJ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-6-ethoxy-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 184.5
[M+Na]+ 373.12710 196.3
[M-H]- 349.13060 188.9
[M+NH4]+ 368.17170 196.1
[M+K]+ 389.10104 190.7
[M+H-H2O]+ 333.13514 173.2
[M+HCOO]- 395.13608 203.5
[M+CH3COO]- 409.15173 195.3
[M+Na-2H]- 371.11255 189.8
[M]+ 350.13733 192.6
[M]- 350.13843 192.6
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

No patent data available for this compound.