CID 9889366

Mibampator

Structural Information

Molecular Formula
C21H30N2O4S2
SMILES
C[C@@H](CNS(=O)(=O)C(C)C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C
InChI
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
InChIKey
ULRDYYKSPCRXAJ-KRWDZBQOSA-N
Compound name
N-[(2R)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

441
Patents

438.1647 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17198 202.4
[M+Na]+ 461.15392 205.6
[M-H]- 437.15742 207.1
[M+NH4]+ 456.19852 211.1
[M+K]+ 477.12786 199.6
[M+H-H2O]+ 421.16196 193.6
[M+HCOO]- 483.16290 211.6
[M+CH3COO]- 497.17855 230.5
[M+Na-2H]- 459.13937 203.5
[M]+ 438.16415 206.3
[M]- 438.16525 206.3
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