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]+ 348.145476 182.5
[M+Na]+ 370.127418 192.9
[M-H]- 346.130924 186.9
[M+NH4]+ 365.172023 193.8
[M+K]+ 386.101358 186.6
[M+H-H2O]+ 330.135460 171.4
[M+HCOO]- 392.136401 201.8
[M+CH3COO]- 406.152051 192.8
[M+Na-2H]- 368.112866 188.6
[M]+ 347.13765142 187.2
[M]- 347.13874858 187.2
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.