CID 3071199

Brn 6438104

Structural Information

Molecular Formula
C20H19N5O
SMILES
COC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5
InChI
InChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-21-22-19-16-6-2-3-7-17(16)20(23-25(18)19)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3
InChIKey
XYMLLIYELMKAQS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15897 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16625 181.9
[M+Na]+ 368.14819 198.4
[M+NH4]+ 363.19279 189.8
[M+K]+ 384.12213 193.5
[M-H]- 344.15169 186.6
[M+Na-2H]- 366.13364 190.3
[M]+ 345.15842 185.7
[M]- 345.15952 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.