CID 6857988

3-buten-2-one, 3-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenoxy)-4-phenyl-, hydrochloride, (z)-

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCCNC(C)(C)C
InChI
InChI=1S/C23H29NO3/c1-18(25)22(17-19-11-6-5-7-12-19)27-21-14-9-8-13-20(21)26-16-10-15-24-23(2,3)4/h5-9,11-14,17,24H,10,15-16H2,1-4H3/b22-17-
InChIKey
NNNQBXJIPZUPCM-XLNRJJMWSA-N
Compound name
(Z)-3-[2-[3-(tert-butylamino)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 192.8
[M+Na]+ 390.203968 195.8
[M-H]- 366.207474 198.2
[M+NH4]+ 385.248573 204.4
[M+K]+ 406.177908 192.0
[M+H-H2O]+ 350.212010 183.9
[M+HCOO]- 412.212951 212.6
[M+CH3COO]- 426.228601 220.2
[M+Na-2H]- 388.189416 194.2
[M]+ 367.21420142 195.7
[M]- 367.21529858 195.7
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.