CID 3087236

Brn 6445482

Structural Information

Molecular Formula
C21H23N5O3
SMILES
COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H23N5O3/c1-28-13-11-25(12-14-29-2)21-18-6-4-3-5-17(18)20-23-22-19(26(20)24-21)15-7-9-16(27)10-8-15/h3-10,27H,11-14H2,1-2H3
InChIKey
FYZHAHRXECKLIA-UHFFFAOYSA-N
Compound name
4-[6-[bis(2-methoxyethyl)amino]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.18008 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 193.9
[M+Na]+ 416.16930 202.5
[M-H]- 392.17280 197.8
[M+NH4]+ 411.21390 203.0
[M+K]+ 432.14324 197.3
[M+H-H2O]+ 376.17734 182.1
[M+HCOO]- 438.17828 212.4
[M+CH3COO]- 452.19393 202.9
[M+Na-2H]- 414.15475 199.1
[M]+ 393.17953 201.2
[M]- 393.18063 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.