CID 3599412

733030-86-9

Structural Information

Molecular Formula
C21H30N4O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)N
InChI
InChI=1S/C21H30N4O3S/c1-4-25(5-2)29(26,27)17-10-11-19(18(22)16-17)23-12-14-24(15-13-23)20-8-6-7-9-21(20)28-3/h6-11,16H,4-5,12-15,22H2,1-3H3
InChIKey
JHLQDOPYNDWWEY-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

418.20386 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.211136 200.1
[M+Na]+ 441.193078 204.3
[M-H]- 417.196584 207.0
[M+NH4]+ 436.237683 207.5
[M+K]+ 457.167018 199.7
[M+H-H2O]+ 401.201120 189.3
[M+HCOO]- 463.202061 212.6
[M+CH3COO]- 477.217711 231.5
[M+Na-2H]- 439.178526 199.9
[M]+ 418.20331142 200.6
[M]- 418.20440858 200.6
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

No patent data available for this compound.