CID 463147

Dipyridodiazepinone deriv. 20

Structural Information

Molecular Formula
C15H17N5O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)NC)C
InChI
InChI=1S/C15H17N5O/c1-4-20-13-10(6-5-9-17-13)15(21)19(3)11-7-8-12(16-2)18-14(11)20/h5-9H,4H2,1-3H3,(H,16,18)
InChIKey
BWCZNIUFCCTZBR-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-5-(methylamino)-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

283.1433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15058 168.6
[M+Na]+ 306.13252 178.7
[M-H]- 282.13602 170.9
[M+NH4]+ 301.17712 181.0
[M+K]+ 322.10646 177.6
[M+H-H2O]+ 266.14056 158.3
[M+HCOO]- 328.14150 185.1
[M+CH3COO]- 342.15715 178.9
[M+Na-2H]- 304.11797 175.2
[M]+ 283.14275 167.8
[M]- 283.14385 167.8
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.