CID 59281003

Polyethylene glycol mono(tristyrylphenyl) ether sulfate ammonium salt

Structural Information

Molecular Formula
C32H34O5S
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)OCCOS(=O)(=O)O)C(C)C4=CC=CC=C4
InChI
InChI=1S/C32H34O5S/c1-23(26-13-7-4-8-14-26)29-21-30(24(2)27-15-9-5-10-16-27)32(36-19-20-37-38(33,34)35)31(22-29)25(3)28-17-11-6-12-18-28/h4-18,21-25H,19-20H2,1-3H3,(H,33,34,35)
InChIKey
BVYMGQNTGWQKGD-UHFFFAOYSA-N
Compound name
2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

530.2127 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.21998 229.4
[M+Na]+ 553.20192 231.4
[M-H]- 529.20542 239.1
[M+NH4]+ 548.24652 233.0
[M+K]+ 569.17586 226.3
[M+H-H2O]+ 513.20996 218.0
[M+HCOO]- 575.21090 240.1
[M+CH3COO]- 589.22655 243.3
[M+Na-2H]- 551.18737 226.7
[M]+ 530.21215 233.5
[M]- 530.21325 233.5
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

patents stripe