CID 6435723

Brn 6239528

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]+ 352.19072 186.7
[M+Na]+ 374.17266 189.0
[M-H]- 350.17616 192.2
[M+NH4]+ 369.21726 198.1
[M+K]+ 390.14660 183.8
[M+H-H2O]+ 334.18070 176.9
[M+HCOO]- 396.18164 203.7
[M+CH3COO]- 410.19729 209.1
[M+Na-2H]- 372.15811 184.7
[M]+ 351.18289 184.2
[M]- 351.18399 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.