CID 1050195

510761-68-9

Structural Information

Molecular Formula
C20H24N6O3
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCCN4CCOCC4
InChI
InChI=1S/C20H24N6O3/c1-22-19(27)14-13-15-18(23-16-5-2-3-7-25(16)20(15)28)26(17(14)21)8-4-6-24-9-11-29-12-10-24/h2-3,5,7,13,21H,4,6,8-12H2,1H3,(H,22,27)
InChIKey
RDSWPTDOMAJTAH-UHFFFAOYSA-N
Compound name
6-imino-N-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.19098 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19826 194.7
[M+Na]+ 419.18020 208.4
[M+NH4]+ 414.22480 199.4
[M+K]+ 435.15414 201.9
[M-H]- 395.18370 198.9
[M+Na-2H]- 417.16565 199.3
[M]+ 396.19043 197.5
[M]- 396.19153 197.5
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.