CID 1077449

510761-61-2

Structural Information

Molecular Formula
C20H23N5O4
SMILES
COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCCN4CCOCC4
InChI
InChI=1S/C20H23N5O4/c1-28-20(27)14-13-15-18(22-16-5-2-3-7-24(16)19(15)26)25(17(14)21)8-4-6-23-9-11-29-12-10-23/h2-3,5,7,13,21H,4,6,8-12H2,1H3
InChIKey
DEYMGUNUMYASMF-UHFFFAOYSA-N
Compound name
methyl 6-imino-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-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.17502 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18230 194.3
[M+Na]+ 420.16424 208.9
[M+NH4]+ 415.20884 199.0
[M+K]+ 436.13818 202.4
[M-H]- 396.16774 197.9
[M+Na-2H]- 418.14969 198.9
[M]+ 397.17447 197.2
[M]- 397.17557 197.2
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.