CID 10318487

1799280-05-9

Structural Information

Molecular Formula
C19H26N2O5S
SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)NCCOC2=CC=CC=C2OC
InChI
InChI=1S/C19H26N2O5S/c1-14(21-10-11-26-17-7-5-4-6-16(17)24-2)12-15-8-9-18(25-3)19(13-15)27(20,22)23/h4-9,13-14,21H,10-12H2,1-3H3,(H2,20,22,23)/t14-/m1/s1
InChIKey
BNFFJGYITGTGMD-CQSZACIVSA-N
Compound name
2-methoxy-5-[(2R)-2-[2-(2-methoxyphenoxy)ethylamino]propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.15625 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16353 191.9
[M+Na]+ 417.14547 196.8
[M-H]- 393.14897 197.6
[M+NH4]+ 412.19007 202.5
[M+K]+ 433.11941 193.3
[M+H-H2O]+ 377.15351 182.9
[M+HCOO]- 439.15445 209.4
[M+CH3COO]- 453.17010 223.9
[M+Na-2H]- 415.13092 193.1
[M]+ 394.15570 198.0
[M]- 394.15680 198.0
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