CID 6435723

3-buten-2-one, 4-phenyl-3-(2-(2-(1-pyrrolidinyl)ethoxy)phenoxy)-, (z)-

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC3CCCN3
InChI
InChI=1S/C22H25NO3/c1-17(24)22(16-18-8-3-2-4-9-18)26-21-12-6-5-11-20(21)25-15-13-19-10-7-14-23-19/h2-6,8-9,11-12,16,19,23H,7,10,13-15H2,1H3/b22-16-
InChIKey
XXBBFEGHAPROSP-JWGURIENSA-N
Compound name
(Z)-4-phenyl-3-[2-(2-pyrrolidin-2-ylethoxy)phenoxy]but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 186.7
[M+Na]+ 374.172658 189.0
[M-H]- 350.176164 192.2
[M+NH4]+ 369.217263 198.1
[M+K]+ 390.146598 183.8
[M+H-H2O]+ 334.180700 176.9
[M+HCOO]- 396.181641 203.7
[M+CH3COO]- 410.197291 209.1
[M+Na-2H]- 372.158106 184.7
[M]+ 351.18289142 184.2
[M]- 351.18398858 184.2
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.