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
5
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]+ 380.200236 190.7
[M+Na]+ 402.182178 190.4
[M-H]- 378.185684 196.3
[M+NH4]+ 397.226783 198.1
[M+K]+ 418.156118 191.3
[M+H-H2O]+ 362.190220 180.6
[M+HCOO]- 424.191161 197.9
[M+CH3COO]- 438.206811 215.7
[M+Na-2H]- 400.167626 189.0
[M]+ 379.19241142 181.8
[M]- 379.19350858 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

literature stripe

Patent stripe

patents stripe