CID 6857988

(z)-3-(2-(3-(tert-butylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride

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]+ 368.22203 192.8
[M+Na]+ 390.20397 195.8
[M-H]- 366.20747 198.2
[M+NH4]+ 385.24857 204.4
[M+K]+ 406.17791 192.0
[M+H-H2O]+ 350.21201 183.9
[M+HCOO]- 412.21295 212.6
[M+CH3COO]- 426.22860 220.2
[M+Na-2H]- 388.18942 194.2
[M]+ 367.21420 195.7
[M]- 367.21530 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.