CID 1151816

N-[4-(4-cycloheptylpiperazine-1-sulfonyl)phenyl]acetamide

Structural Information

Molecular Formula
C19H29N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCC3
InChI
InChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChIKey
IVPOQXWRUMMORK-UHFFFAOYSA-N
Compound name
N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

308
References

56
Patents

379.19296 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20024 190.7
[M+Na]+ 402.18218 190.4
[M-H]- 378.18568 196.3
[M+NH4]+ 397.22678 198.1
[M+K]+ 418.15612 191.3
[M+H-H2O]+ 362.19022 180.6
[M+HCOO]- 424.19116 197.9
[M+CH3COO]- 438.20681 215.7
[M+Na-2H]- 400.16763 189.0
[M]+ 379.19241 181.8
[M]- 379.19351 181.8
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.