CID 3071184

Brn 6441892

Structural Information

Molecular Formula
C21H23N5O2
SMILES
COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C21H23N5O2/c1-27-14-12-25(13-15-28-2)21-18-11-7-6-10-17(18)20-23-22-19(26(20)24-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKey
RMXHNVJURKDVJK-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 190.8
[M+Na]+ 400.17440 199.2
[M-H]- 376.17790 195.4
[M+NH4]+ 395.21900 201.0
[M+K]+ 416.14834 193.8
[M+H-H2O]+ 360.18244 178.4
[M+HCOO]- 422.18338 210.5
[M+CH3COO]- 436.19903 200.2
[M+Na-2H]- 398.15985 196.9
[M]+ 377.18463 197.9
[M]- 377.18573 197.9
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.