CID 132164139

Keverprazan

Structural Information

Molecular Formula
C22H25FN2O4S
SMILES
CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)OCCCOC
InChI
InChI=1S/C22H25FN2O4S/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3
InChIKey
UDHVRDAZIAGHFG-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

432.15192 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.159196 202.4
[M+Na]+ 455.141138 209.9
[M-H]- 431.144644 209.9
[M+NH4]+ 450.185743 212.7
[M+K]+ 471.115078 204.2
[M+H-H2O]+ 415.149180 192.2
[M+HCOO]- 477.150121 219.4
[M+CH3COO]- 491.165771 227.2
[M+Na-2H]- 453.126586 202.0
[M]+ 432.15137142 208.7
[M]- 432.15246858 208.7
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