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]+ 419.21114 200.1
[M+Na]+ 441.19308 204.3
[M-H]- 417.19658 207.0
[M+NH4]+ 436.23768 207.5
[M+K]+ 457.16702 199.7
[M+H-H2O]+ 401.20112 189.3
[M+HCOO]- 463.20206 212.6
[M+CH3COO]- 477.21771 231.5
[M+Na-2H]- 439.17853 199.9
[M]+ 418.20331 200.6
[M]- 418.20441 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.