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]+ 259.11894 159.5
[M+Na]+ 281.10088 165.8
[M-H]- 257.10438 161.1
[M+NH4]+ 276.14548 169.5
[M+K]+ 297.07482 162.9
[M+H-H2O]+ 241.10892 148.1
[M+HCOO]- 303.10986 172.7
[M+CH3COO]- 317.12551 169.0
[M+Na-2H]- 279.08633 166.6
[M]+ 258.11111 156.8
[M]- 258.11221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.