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 182.5
[M+Na]+ 372.14309 192.9
[M-H]- 348.14659 186.6
[M+NH4]+ 367.18769 193.8
[M+K]+ 388.11703 186.6
[M+H-H2O]+ 332.15113 171.1
[M+HCOO]- 394.15207 202.6
[M+CH3COO]- 408.16772 192.8
[M+Na-2H]- 370.12854 189.7
[M]+ 349.15332 188.4
[M]- 349.15442 188.4
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.