CID 661575

510760-75-5

Structural Information

Molecular Formula
C24H19N5O3
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5
InChI
InChI=1S/C24H19N5O3/c25-21-18(23(30)26-14-16-7-2-1-3-8-16)13-19-22(29(21)15-17-9-6-12-32-17)27-20-10-4-5-11-28(20)24(19)31/h1-13,25H,14-15H2,(H,26,30)
InChIKey
RZSLKGYJTJOJGE-UHFFFAOYSA-N
Compound name
N-benzyl-7-(furan-2-ylmethyl)-6-imino-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

8
References

0
Patents

425.1488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15608 201.1
[M+Na]+ 448.13802 217.9
[M+NH4]+ 443.18262 207.1
[M+K]+ 464.11196 211.5
[M-H]- 424.14152 208.6
[M+Na-2H]- 446.12347 209.9
[M]+ 425.14825 205.6
[M]- 425.14935 205.6
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.