CID 46917355

1246203-32-6

Structural Information

Molecular Formula
C26H30F2N8O4S
SMILES
CN(C)CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F
InChI
InChI=1S/C26H30F2N8O4S/c1-34(2)13-16-41(37,38)33-18-9-7-17(8-10-18)23-30-25(35-11-14-40-15-12-35)32-26(31-23)36-19-5-4-6-20(39-3)21(19)29-24(36)22(27)28/h4-10,22,33H,11-16H2,1-3H3
InChIKey
GDCJHDUWWAKBIW-UHFFFAOYSA-N
Compound name
N-[4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-2-(dimethylamino)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2305
Patents

588.2079 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.21518 227.4
[M+Na]+ 611.19712 237.6
[M+NH4]+ 606.24172 228.5
[M+K]+ 627.17106 234.1
[M-H]- 587.20062 230.0
[M+Na-2H]- 609.18257 232.8
[M]+ 588.20735 229.6
[M]- 588.20845 229.6
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

patents stripe