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 164.5
[M+Na]+ 304.11688 173.2
[M-H]- 280.12038 168.8
[M+NH4]+ 299.16148 174.1
[M+K]+ 320.09082 168.3
[M+H-H2O]+ 264.12492 152.1
[M+HCOO]- 326.12586 179.7
[M+CH3COO]- 340.14151 174.5
[M+Na-2H]- 302.10233 170.5
[M]+ 281.12711 163.0
[M]- 281.12821 163.0
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

patents stripe