CID 1948

[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid

Structural Information

Molecular Formula
C19H22N2O4S
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKey
GNSLACGSDSJAIQ-UHFFFAOYSA-N
Compound name
2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

374.13004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13732 185.1
[M+Na]+ 397.11926 188.6
[M-H]- 373.12276 190.9
[M+NH4]+ 392.16386 194.1
[M+K]+ 413.09320 183.4
[M+H-H2O]+ 357.12730 175.9
[M+HCOO]- 419.12824 196.8
[M+CH3COO]- 433.14389 212.7
[M+Na-2H]- 395.10471 186.9
[M]+ 374.12949 182.5
[M]- 374.13059 182.5
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