CID 5342002

(2e)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Structural Information

Molecular Formula
C17H16ClNO
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H16ClNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3/b12-5+
InChIKey
WUXTYVHXWDGPIQ-LFYBBSHMSA-N
Compound name
(E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

285.09204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09932 165.5
[M+Na]+ 308.08126 173.2
[M-H]- 284.08476 173.4
[M+NH4]+ 303.12586 182.4
[M+K]+ 324.05520 167.8
[M+H-H2O]+ 268.08930 158.3
[M+HCOO]- 330.09024 185.5
[M+CH3COO]- 344.10589 205.8
[M+Na-2H]- 306.06671 168.4
[M]+ 285.09149 168.6
[M]- 285.09259 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe