CID 6857990

(z)-3-(2-(2-(diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC(C)N(CCOC1=CC=CC=C1O/C(=C\C2=CC=CC=C2)/C(=O)C)C(C)C
InChI
InChI=1S/C24H31NO3/c1-18(2)25(19(3)4)15-16-27-22-13-9-10-14-23(22)28-24(20(5)26)17-21-11-7-6-8-12-21/h6-14,17-19H,15-16H2,1-5H3/b24-17-
InChIKey
CQPLCYXDSOOQBU-ULJHMMPZSA-N
Compound name
(Z)-3-[2-[2-[di(propan-2-yl)amino]ethoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 197.6
[M+Na]+ 404.21962 199.2
[M-H]- 380.22312 204.0
[M+NH4]+ 399.26422 208.7
[M+K]+ 420.19356 197.1
[M+H-H2O]+ 364.22766 188.0
[M+HCOO]- 426.22860 217.0
[M+CH3COO]- 440.24425 228.4
[M+Na-2H]- 402.20507 194.4
[M]+ 381.22985 201.3
[M]- 381.23095 201.3
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.