CID 6857997

106064-12-4

Structural Information

Molecular Formula
C24H30ClNO3
SMILES
CC(C)N(CCOC1=C(C=C(C=C1)Cl)O/C(=C\C2=CC=CC=C2)/C(=O)C)C(C)C
InChI
InChI=1S/C24H30ClNO3/c1-17(2)26(18(3)4)13-14-28-22-12-11-21(25)16-24(22)29-23(19(5)27)15-20-9-7-6-8-10-20/h6-12,15-18H,13-14H2,1-5H3/b23-15-
InChIKey
KZXRQDFPCORAKU-HAHDFKILSA-N
Compound name
(Z)-3-[5-chloro-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

415.1914 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19868 202.3
[M+Na]+ 438.18062 205.7
[M-H]- 414.18412 209.1
[M+NH4]+ 433.22522 213.4
[M+K]+ 454.15456 201.9
[M+H-H2O]+ 398.18866 193.8
[M+HCOO]- 460.18960 217.4
[M+CH3COO]- 474.20525 233.0
[M+Na-2H]- 436.16607 198.2
[M]+ 415.19085 209.1
[M]- 415.19195 209.1
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.