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]+ 283.11894 164.3
[M+Na]+ 305.10088 174.2
[M-H]- 281.10438 166.4
[M+NH4]+ 300.14548 176.6
[M+K]+ 321.07482 173.5
[M+H-H2O]+ 265.10892 154.4
[M+HCOO]- 327.10986 179.3
[M+CH3COO]- 341.12551 174.7
[M+Na-2H]- 303.08633 170.3
[M]+ 282.11111 163.8
[M]- 282.11221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.