CID 33948

27585-38-2

Structural Information

Molecular Formula
C24H31ClN2O3
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN2CCCC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H31ClN2O3/c1-2-3-18-29-20-10-12-21(13-11-20)30-19-24(28)27(17-16-26-14-6-7-15-26)23-9-5-4-8-22(23)25/h4-5,8-13H,2-3,6-7,14-19H2,1H3
InChIKey
PRMUSNAXAYPXMN-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20233 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20961 206.9
[M+Na]+ 453.19155 209.7
[M-H]- 429.19505 214.9
[M+NH4]+ 448.23615 217.4
[M+K]+ 469.16549 204.7
[M+H-H2O]+ 413.19959 196.3
[M+HCOO]- 475.20053 222.5
[M+CH3COO]- 489.21618 230.1
[M+Na-2H]- 451.17700 204.1
[M]+ 430.20178 211.6
[M]- 430.20288 211.6
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.