CID 3079902

7-ethoxy-3-(4-methoxyphenyl)-4h-(1,2,4)triazino(3,4-a)phthalazin-4-one

Structural Information

Molecular Formula
C19H16N4O3
SMILES
CCOC1=NN2C(=NN=C(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C41
InChI
InChI=1S/C19H16N4O3/c1-3-26-18-15-7-5-4-6-14(15)17-21-20-16(19(24)23(17)22-18)12-8-10-13(25-2)11-9-12/h4-11H,3H2,1-2H3
InChIKey
QPICCMBASBIJLD-UHFFFAOYSA-N
Compound name
7-ethoxy-3-(4-methoxyphenyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12953 184.9
[M+Na]+ 371.11147 197.1
[M-H]- 347.11497 188.9
[M+NH4]+ 366.15607 194.4
[M+K]+ 387.08541 190.4
[M+H-H2O]+ 331.11951 172.5
[M+HCOO]- 393.12045 202.9
[M+CH3COO]- 407.13610 195.2
[M+Na-2H]- 369.09692 193.3
[M]+ 348.12170 191.2
[M]- 348.12280 191.2
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.