CID 463556

Dipyridodiazepinone deriv. 36

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)OC)C
InChI
InChI=1S/C15H16N4O2/c1-4-19-13-10(6-5-9-16-13)15(20)18(2)11-7-8-12(21-3)17-14(11)19/h5-9H,4H2,1-3H3
InChIKey
BERPEAVNCCSEPP-UHFFFAOYSA-N
Compound name
2-ethyl-5-methoxy-9-methyl-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

11
Patents

284.12732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 166.5
[M+Na]+ 307.11654 177.1
[M-H]- 283.12004 168.7
[M+NH4]+ 302.16114 179.0
[M+K]+ 323.09048 176.5
[M+H-H2O]+ 267.12458 156.4
[M+HCOO]- 329.12552 182.1
[M+CH3COO]- 343.14117 177.1
[M+Na-2H]- 305.10199 172.6
[M]+ 284.12677 167.5
[M]- 284.12787 167.5
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.