CID 1505512

Jt3wtn4o3m

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1COCCN1C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2
InChI
InChI=1S/C15H15N5O/c1-2-4-12(5-3-1)15-17-16-13-6-7-14(18-20(13)15)19-8-10-21-11-9-19/h1-7H,8-11H2
InChIKey
KXRSZXYQPXSIQS-UHFFFAOYSA-N
Compound name
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

281.12766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 163.9
[M+Na]+ 304.11688 180.3
[M+NH4]+ 299.16148 171.5
[M+K]+ 320.09082 174.7
[M-H]- 280.12038 169.3
[M+Na-2H]- 302.10233 173.2
[M]+ 281.12711 167.8
[M]- 281.12821 167.8
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

patents stripe