CID 2169

Amosulalol

Structural Information

Molecular Formula
C18H24N2O5S
SMILES
CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)(=O)N
InChI
InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
InChIKey
LVEXHFZHOIWIIP-UHFFFAOYSA-N
Compound name
5-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

6080
Patents

380.1406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14788 187.2
[M+Na]+ 403.12982 192.0
[M-H]- 379.13332 191.6
[M+NH4]+ 398.17442 197.6
[M+K]+ 419.10376 187.9
[M+H-H2O]+ 363.13786 178.6
[M+HCOO]- 425.13880 203.4
[M+CH3COO]- 439.15445 218.8
[M+Na-2H]- 401.11527 188.4
[M]+ 380.14005 191.1
[M]- 380.14115 191.1
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