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 193.2
[M+Na]+ 400.17440 200.1
[M-H]- 376.17790 195.9
[M+NH4]+ 395.21900 200.9
[M+K]+ 416.14834 194.6
[M+H-H2O]+ 360.18244 180.8
[M+HCOO]- 422.18338 206.7
[M+CH3COO]- 436.19903 200.9
[M+Na-2H]- 398.15985 198.4
[M]+ 377.18463 194.7
[M]- 377.18573 194.7
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.