CID 3151412

510762-48-8

Structural Information

Molecular Formula
C20H23N5O4
SMILES
COCCN1C2=C(C=C(C1=N)C(=O)NCC3CCCO3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H23N5O4/c1-28-10-8-25-17(21)14(19(26)22-12-13-5-4-9-29-13)11-15-18(25)23-16-6-2-3-7-24(16)20(15)27/h2-3,6-7,11,13,21H,4-5,8-10,12H2,1H3,(H,22,26)
InChIKey
ATIYAIAVTRRTIG-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-2-oxo-N-(oxolan-2-ylmethyl)-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

5
References

0
Patents

397.17502 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18230 193.2
[M+Na]+ 420.16424 205.7
[M+NH4]+ 415.20884 198.0
[M+K]+ 436.13818 201.7
[M-H]- 396.16774 197.1
[M+Na-2H]- 418.14969 197.1
[M]+ 397.17447 195.8
[M]- 397.17557 195.8
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.