CID 19915730

115256-14-9

Structural Information

Molecular Formula
C18H25N3O3S
SMILES
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)N
InChI
InChI=1S/C18H25N3O3S/c1-21(13-14-24-18-9-5-16(19)6-10-18)12-11-15-3-7-17(8-4-15)20-25(2,22)23/h3-10,20H,11-14,19H2,1-2H3
InChIKey
YNVRQGXSUGWHSO-UHFFFAOYSA-N
Compound name
N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

363.16165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16893 185.3
[M+Na]+ 386.15087 194.6
[M+NH4]+ 381.19547 191.4
[M+K]+ 402.12481 187.0
[M-H]- 362.15437 189.5
[M+Na-2H]- 384.13632 192.2
[M]+ 363.16110 188.0
[M]- 363.16220 188.0
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