CID 6912228

Chalcone, alpha-(2-(2-(diethylamino)ethoxy)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C27H29NO3
SMILES
CCN(CC)CCOC1=CC=CC=C1O/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H29NO3/c1-3-28(4-2)19-20-30-24-17-11-12-18-25(24)31-26(21-22-13-7-5-8-14-22)27(29)23-15-9-6-10-16-23/h5-18,21H,3-4,19-20H2,1-2H3/b26-21-
InChIKey
CNJRWHSLVBNSNT-QLYXXIJNSA-N
Compound name
(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.21475 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.22203 205.6
[M+Na]+ 438.20397 207.4
[M-H]- 414.20747 214.7
[M+NH4]+ 433.24857 214.7
[M+K]+ 454.17791 203.1
[M+H-H2O]+ 398.21201 194.1
[M+HCOO]- 460.21295 227.0
[M+CH3COO]- 474.22860 231.4
[M+Na-2H]- 436.18942 205.5
[M]+ 415.21420 208.5
[M]- 415.21530 208.5
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.