CID 3079898

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

Structural Information

Molecular Formula
C21H19N5O2
SMILES
COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NN3C2=O)N5CCCC5
InChI
InChI=1S/C21H19N5O2/c1-28-15-10-8-14(9-11-15)18-21(27)26-19(23-22-18)16-6-2-3-7-17(16)20(24-26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3
InChIKey
HKUXKNGEGBCPAT-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15387 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 190.0
[M+Na]+ 396.14309 208.1
[M+NH4]+ 391.18769 197.1
[M+K]+ 412.11703 201.0
[M-H]- 372.14659 194.9
[M+Na-2H]- 394.12854 199.0
[M]+ 373.15332 194.1
[M]- 373.15442 194.1
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.