CID 130400

125228-72-0

Structural Information

Molecular Formula
C21H26N4O5S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)OCC(CNCCOC2=CC=C(C=C2)N3C=CN=C3)O
InChI
InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3
InChIKey
QZWUQVSQIFFFKY-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

446.16238 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.16966 202.6
[M+Na]+ 469.15160 211.3
[M+NH4]+ 464.19620 206.2
[M+K]+ 485.12554 206.7
[M-H]- 445.15510 205.1
[M+Na-2H]- 467.13705 209.1
[M]+ 446.16183 204.6
[M]- 446.16293 204.6
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

patents stripe