CID 3737140

3-amino-n,n-diethyl-4-[5-methyl-2-(propan-2-yl)phenoxy]benzene-1-sulfonamide

Structural Information

Molecular Formula
C20H28N2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)C)C(C)C)N
InChI
InChI=1S/C20H28N2O3S/c1-6-22(7-2)26(23,24)16-9-11-19(18(21)13-16)25-20-12-15(5)8-10-17(20)14(3)4/h8-14H,6-7,21H2,1-5H3
InChIKey
ZVZOCLVEXKIWDU-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.18207 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18935 190.2
[M+Na]+ 399.17129 196.2
[M-H]- 375.17479 197.8
[M+NH4]+ 394.21589 202.8
[M+K]+ 415.14523 192.7
[M+H-H2O]+ 359.17933 181.6
[M+HCOO]- 421.18027 207.4
[M+CH3COO]- 435.19592 227.0
[M+Na-2H]- 397.15674 189.0
[M]+ 376.18152 195.6
[M]- 376.18262 195.6
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

No patent data available for this compound.