CID 463569

Dipyridodiazepinone deriv. 49

Structural Information

Molecular Formula
C17H15N5O2
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CN=CO4)C
InChI
InChI=1S/C17H15N5O2/c1-3-22-15-11(5-4-8-19-15)17(23)21(2)13-7-6-12(20-16(13)22)14-9-18-10-24-14/h4-10H,3H2,1-2H3
InChIKey
ZQOJAUJXGGBOGN-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-5-(1,3-oxazol-5-yl)-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

321.1226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 177.9
[M+Na]+ 344.11182 189.3
[M-H]- 320.11532 182.9
[M+NH4]+ 339.15642 187.7
[M+K]+ 360.08576 187.5
[M+H-H2O]+ 304.11986 166.0
[M+HCOO]- 366.12080 192.6
[M+CH3COO]- 380.13645 188.0
[M+Na-2H]- 342.09727 181.7
[M]+ 321.12205 178.8
[M]- 321.12315 178.8
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.