CID 3071250

87540-87-2

Structural Information

Molecular Formula
C20H19N5O
SMILES
COC1=CC=C(C=C1)C2=NN3C(=NN=C3N4CCCC4)C5=CC=CC=C52
InChI
InChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)19-21-22-20(25(19)23-18)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3
InChIKey
RKINLIGTILCMDR-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 182.3
[M+Na]+ 368.14819 192.3
[M-H]- 344.15169 188.2
[M+NH4]+ 363.19279 193.8
[M+K]+ 384.12213 185.2
[M+H-H2O]+ 328.15623 170.2
[M+HCOO]- 390.15717 198.7
[M+CH3COO]- 404.17282 192.1
[M+Na-2H]- 366.13364 184.2
[M]+ 345.15842 183.8
[M]- 345.15952 183.8
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

patents stripe