CID 3079897

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

Structural Information

Molecular Formula
C15H15N5O
SMILES
CC1=NN=C2C3=CC=CC=C3C(=NN2C1=O)N4CCCC4
InChI
InChI=1S/C15H15N5O/c1-10-15(21)20-13(17-16-10)11-6-2-3-7-12(11)14(18-20)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
MZDMZLMURWMCLI-UHFFFAOYSA-N
Compound name
3-methyl-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

281.12766 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 167.0
[M+Na]+ 304.11688 178.7
[M-H]- 280.12038 169.6
[M+NH4]+ 299.16148 179.9
[M+K]+ 320.09082 171.9
[M+H-H2O]+ 264.12492 155.8
[M+HCOO]- 326.12586 183.2
[M+CH3COO]- 340.14151 177.8
[M+Na-2H]- 302.10233 172.8
[M]+ 281.12711 167.9
[M]- 281.12821 167.9
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.