CID 157345

Morpholine, 4-(1,2,4-benzotriazin-3-ylacetyl)-

Structural Information

Molecular Formula
C13H14N4O2
SMILES
C1COCCN1C(=O)CC2=NC3=CC=CC=C3N=N2
InChI
InChI=1S/C13H14N4O2/c18-13(17-5-7-19-8-6-17)9-12-14-10-3-1-2-4-11(10)15-16-12/h1-4H,5-9H2
InChIKey
GKFDYENMDUHSOT-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11166 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.118936 159.5
[M+Na]+ 281.100878 165.8
[M-H]- 257.104384 161.1
[M+NH4]+ 276.145483 169.5
[M+K]+ 297.074818 162.9
[M+H-H2O]+ 241.108920 148.1
[M+HCOO]- 303.109861 172.7
[M+CH3COO]- 317.125511 169.0
[M+Na-2H]- 279.086326 166.6
[M]+ 258.11111142 156.8
[M]- 258.11220858 156.8
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.