CID 3071225

87540-49-6

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]+ 351.145156 184.5
[M+Na]+ 373.127098 196.3
[M-H]- 349.130604 188.9
[M+NH4]+ 368.171703 196.1
[M+K]+ 389.101038 190.7
[M+H-H2O]+ 333.135140 173.2
[M+HCOO]- 395.136081 203.5
[M+CH3COO]- 409.151731 195.3
[M+Na-2H]- 371.112546 189.8
[M]+ 350.13733142 192.6
[M]- 350.13842858 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.