CID 3079899

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

Structural Information

Molecular Formula
C21H21N5O3
SMILES
CC(CN(C)C1=NN2C(=NN=C(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C41)O
InChI
InChI=1S/C21H21N5O3/c1-13(27)12-25(2)20-17-7-5-4-6-16(17)19-23-22-18(21(28)26(19)24-20)14-8-10-15(29-3)11-9-14/h4-11,13,27H,12H2,1-3H3
InChIKey
QRIHAJIABMKGSW-UHFFFAOYSA-N
Compound name
7-[2-hydroxypropyl(methyl)amino]-3-(4-methoxyphenyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16443 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17171 193.4
[M+Na]+ 414.15365 210.1
[M+NH4]+ 409.19825 199.2
[M+K]+ 430.12759 202.9
[M-H]- 390.15715 197.0
[M+Na-2H]- 412.13910 201.2
[M]+ 391.16388 196.9
[M]- 391.16498 196.9
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.