CID 3151458

510762-82-0

Structural Information

Molecular Formula
C24H25N5O3
SMILES
COCCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC=CC=C3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C24H25N5O3/c1-32-15-7-14-29-21(25)18(23(30)26-12-11-17-8-3-2-4-9-17)16-19-22(29)27-20-10-5-6-13-28(20)24(19)31/h2-6,8-10,13,16,25H,7,11-12,14-15H2,1H3,(H,26,30)
InChIKey
CSRZHFQVBOFVQF-UHFFFAOYSA-N
Compound name
6-imino-7-(3-methoxypropyl)-2-oxo-N-(2-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 204.7
[M+Na]+ 454.18496 220.2
[M+NH4]+ 449.22956 209.9
[M+K]+ 470.15890 211.4
[M-H]- 430.18846 208.9
[M+Na-2H]- 452.17041 212.0
[M]+ 431.19519 208.0
[M]- 431.19629 208.0
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.