CID 453320

133648-15-4

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=CC=C3)C(=O)C
InChI
InChI=1S/C15H14N4O2/c1-3-18-13-11(6-4-8-16-13)15(21)19(10(2)20)12-7-5-9-17-14(12)18/h4-9H,3H2,1-2H3
InChIKey
ZYJMCIOUMFHWMM-UHFFFAOYSA-N
Compound name
9-acetyl-2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 164.3
[M+Na]+ 305.100878 174.2
[M-H]- 281.104384 166.4
[M+NH4]+ 300.145483 176.6
[M+K]+ 321.074818 173.5
[M+H-H2O]+ 265.108920 154.4
[M+HCOO]- 327.109861 179.3
[M+CH3COO]- 341.125511 174.7
[M+Na-2H]- 303.086326 170.3
[M]+ 282.11111142 163.8
[M]- 282.11220858 163.8
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.