CID 3151455

510762-79-5

Structural Information

Molecular Formula
C24H25N5O3
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCOC
InChI
InChI=1S/C24H25N5O3/c1-16(17-9-4-3-5-10-17)26-23(30)18-15-19-22(29(21(18)25)13-8-14-32-2)27-20-11-6-7-12-28(20)24(19)31/h3-7,9-12,15-16,25H,8,13-14H2,1-2H3,(H,26,30)
InChIKey
FREDNXPPECKTBP-UHFFFAOYSA-N
Compound name
6-imino-7-(3-methoxypropyl)-2-oxo-N-(1-phenylethyl)-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

431.19574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 203.8
[M+Na]+ 454.18496 218.9
[M+NH4]+ 449.22956 208.9
[M+K]+ 470.15890 211.1
[M-H]- 430.18846 207.9
[M+Na-2H]- 452.17041 210.9
[M]+ 431.19519 207.0
[M]- 431.19629 207.0
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.