CID 208538

32411-00-0

Structural Information

Molecular Formula
C17H29N3O3S
SMILES
CC(C)OC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C
InChI
InChI=1S/C17H29N3O3S/c1-15(2)23-16-5-7-17(8-6-16)24(21,22)18-9-4-10-20-13-11-19(3)12-14-20/h5-8,15,18H,4,9-14H2,1-3H3
InChIKey
WPPVIGJBYQHIJT-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-yloxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.19296 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20024 184.3
[M+Na]+ 378.18218 187.8
[M-H]- 354.18568 186.9
[M+NH4]+ 373.22678 194.3
[M+K]+ 394.15612 183.9
[M+H-H2O]+ 338.19022 175.1
[M+HCOO]- 400.19116 195.0
[M+CH3COO]- 414.20681 214.2
[M+Na-2H]- 376.16763 184.5
[M]+ 355.19241 185.2
[M]- 355.19351 185.2
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.