CID 120409

Brn 1396639

Structural Information

Molecular Formula
C22H37NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCOCCN2CCCC2
InChI
InChI=1S/C22H37NO4/c1-19(2)21-7-6-20(3)18-22(21)27-17-16-26-15-14-25-13-12-24-11-10-23-8-4-5-9-23/h6-7,18-19H,4-5,8-17H2,1-3H3
InChIKey
WGYUEWREKQVDSX-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.27225 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.27953 197.4
[M+Na]+ 402.26147 199.3
[M-H]- 378.26497 200.7
[M+NH4]+ 397.30607 209.3
[M+K]+ 418.23541 196.8
[M+H-H2O]+ 362.26951 187.8
[M+HCOO]- 424.27045 215.3
[M+CH3COO]- 438.28610 220.0
[M+Na-2H]- 400.24692 194.2
[M]+ 379.27170 203.5
[M]- 379.27280 203.5
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

No patent data available for this compound.