CID 3079895

1-((3-(4-methoxyphenyl)-4h-(1,2,4)triazino(3,4-a)phthalazin-7-yl)methylamino)-2-propanol

Structural Information

Molecular Formula
C21H23N5O2
SMILES
CC(CN(C)C1=NN2CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C21H23N5O2/c1-14(27)12-25(2)21-18-7-5-4-6-17(18)20-23-22-19(13-26(20)24-21)15-8-10-16(28-3)11-9-15/h4-11,14,27H,12-13H2,1-3H3
InChIKey
LSFNPTKJJBCKGI-UHFFFAOYSA-N
Compound name
1-[[3-(4-methoxyphenyl)-4H-[1,2,4]triazino[3,4-a]phthalazin-7-yl]-methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 192.1
[M+Na]+ 400.17440 207.1
[M+NH4]+ 395.21900 198.7
[M+K]+ 416.14834 199.7
[M-H]- 376.17790 195.9
[M+Na-2H]- 398.15985 199.0
[M]+ 377.18463 195.3
[M]- 377.18573 195.3
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.