CID 463550

Dipyridodiazepinone deriv. 30

Structural Information

Molecular Formula
C19H23N5O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)N4CCCCC4)C
InChI
InChI=1S/C19H23N5O/c1-3-24-17-14(8-7-11-20-17)19(25)22(2)15-9-10-16(21-18(15)24)23-12-5-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3
InChIKey
VETMMEPOTXAQPF-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-5-piperidin-1-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

337.19025 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 186.8
[M+Na]+ 360.17947 194.4
[M-H]- 336.18297 189.1
[M+NH4]+ 355.22407 195.0
[M+K]+ 376.15341 191.3
[M+H-H2O]+ 320.18751 173.5
[M+HCOO]- 382.18845 196.5
[M+CH3COO]- 396.20410 194.1
[M+Na-2H]- 358.16492 189.6
[M]+ 337.18970 181.5
[M]- 337.19080 181.5
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.