CID 3087237

Brn 6437837

Structural Information

Molecular Formula
C19H19N5O2
SMILES
COCCNC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H19N5O2/c1-25-12-11-20-17-15-5-3-4-6-16(15)19-22-21-18(24(19)23-17)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKey
JARZEONFIMMZFJ-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 183.3
[M+Na]+ 372.14309 199.3
[M+NH4]+ 367.18769 190.3
[M+K]+ 388.11703 192.8
[M-H]- 348.14659 187.0
[M+Na-2H]- 370.12854 191.2
[M]+ 349.15332 186.7
[M]- 349.15442 186.7
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.