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

13
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 184.8
[M+Na]+ 386.15087 189.4
[M-H]- 362.15437 191.6
[M+NH4]+ 381.19547 196.9
[M+K]+ 402.12481 185.4
[M+H-H2O]+ 346.15891 175.5
[M+HCOO]- 408.15985 204.6
[M+CH3COO]- 422.17550 222.9
[M+Na-2H]- 384.13632 187.6
[M]+ 363.16110 188.4
[M]- 363.16220 188.4
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