CID 3071224

87540-48-5

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CCCCCOC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC)OC
InChI
InChI=1S/C23H26N4O3/c1-4-6-9-14-30-19-13-12-16(15-20(19)28-3)21-24-25-22-17-10-7-8-11-18(17)23(29-5-2)26-27(21)22/h7-8,10-13,15H,4-6,9,14H2,1-3H3
InChIKey
AYKIRUKAYFZULB-UHFFFAOYSA-N
Compound name
6-ethoxy-3-(3-methoxy-4-pentoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 201.9
[M+Na]+ 429.18972 218.3
[M+NH4]+ 424.23432 208.2
[M+K]+ 445.16366 211.0
[M-H]- 405.19322 204.9
[M+Na-2H]- 427.17517 208.3
[M]+ 406.19995 205.3
[M]- 406.20105 205.3
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.