CID 3071221

87540-45-2

Structural Information

Molecular Formula
C19H17N5O2
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C19H17N5O2/c1-3-26-19-16-7-5-4-6-15(16)18-22-21-17(24(18)23-19)13-8-10-14(11-9-13)20-12(2)25/h4-11H,3H2,1-2H3,(H,20,25)
InChIKey
LVFXVIDIJGRKBH-UHFFFAOYSA-N
Compound name
N-[4-(6-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 181.8
[M+Na]+ 370.12742 197.6
[M+NH4]+ 365.17202 188.5
[M+K]+ 386.10136 191.8
[M-H]- 346.13092 185.2
[M+Na-2H]- 368.11287 189.4
[M]+ 347.13765 185.0
[M]- 347.13875 185.0
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.