CID 1391229

606949-06-8

Structural Information

Molecular Formula
C24H25N5O4S
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H25N5O4S/c1-17-6-5-9-29-22(17)26-23-19(24(29)30)16-20(34(31,32)18-7-3-2-4-8-18)21(25)28(23)11-10-27-12-14-33-15-13-27/h2-9,16,25H,10-15H2,1H3
InChIKey
IHDVIEZTVOQFDW-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)-6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

479.16272 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.17000 211.1
[M+Na]+ 502.15194 227.5
[M+NH4]+ 497.19654 216.2
[M+K]+ 518.12588 218.3
[M-H]- 478.15544 217.0
[M+Na-2H]- 500.13739 218.6
[M]+ 479.16217 215.6
[M]- 479.16327 215.6
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.