CID 3087553

Acetamide, n-(4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H29N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H29N3O3S/c1-19(26)23-21-8-10-22(11-9-21)29(27,28)17-5-12-24-13-15-25(16-14-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKey
PAGLCNOECNSDNS-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-benzylpiperazin-1-yl)propylsulfonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.19296 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20024 199.4
[M+Na]+ 438.18218 202.3
[M-H]- 414.18568 204.6
[M+NH4]+ 433.22678 206.2
[M+K]+ 454.15612 196.3
[M+H-H2O]+ 398.19022 188.6
[M+HCOO]- 460.19116 210.0
[M+CH3COO]- 474.20681 223.6
[M+Na-2H]- 436.16763 199.9
[M]+ 415.19241 198.4
[M]- 415.19351 198.4
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

No patent data available for this compound.