CID 1077460

510761-76-9

Structural Information

Molecular Formula
C25H28N6O4
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC=CO5
InChI
InChI=1S/C25H28N6O4/c1-17-5-2-8-31-22(17)28-23-20(25(31)33)15-19(24(32)27-16-18-6-3-12-35-18)21(26)30(23)9-4-7-29-10-13-34-14-11-29/h2-3,5-6,8,12,15,26H,4,7,9-11,13-14,16H2,1H3,(H,27,32)
InChIKey
INKQYFIGFRKDIU-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-6-imino-11-methyl-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-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2172 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.22448 215.9
[M+Na]+ 499.20642 229.8
[M+NH4]+ 494.25102 220.0
[M+K]+ 515.18036 225.2
[M-H]- 475.20992 222.9
[M+Na-2H]- 497.19187 220.1
[M]+ 476.21665 219.7
[M]- 476.21775 219.7
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.