CID 201346

5819-73-8

Structural Information

Molecular Formula
C23H32N2O4S
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C23H32N2O4S/c1-3-4-5-6-7-8-15-29-23-14-9-20(24)16-19(23)17-30(27,28)22-12-10-21(11-13-22)25-18(2)26/h9-14,16H,3-8,15,17,24H2,1-2H3,(H,25,26)
InChIKey
MZTINLNISVMYAA-UHFFFAOYSA-N
Compound name
N-[4-[(5-amino-2-octoxyphenyl)methylsulfonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.20828 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21556 205.7
[M+Na]+ 455.19750 209.4
[M-H]- 431.20100 210.7
[M+NH4]+ 450.24210 214.8
[M+K]+ 471.17144 203.8
[M+H-H2O]+ 415.20554 196.2
[M+HCOO]- 477.20648 221.8
[M+CH3COO]- 491.22213 232.1
[M+Na-2H]- 453.18295 204.6
[M]+ 432.20773 210.9
[M]- 432.20883 210.9
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.