CID 5983663

Nsc640542

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H19NO/c1-14-4-9-16(10-5-14)18(20)13-8-15-6-11-17(12-7-15)19(2)3/h4-13H,1-3H3/b13-8+
InChIKey
WDFJWHWYPOZAQG-MDWZMJQESA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

265.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 163.0
[M+Na]+ 288.135888 169.4
[M-H]- 264.139394 170.9
[M+NH4]+ 283.180493 179.8
[M+K]+ 304.109828 165.8
[M+H-H2O]+ 248.143930 154.9
[M+HCOO]- 310.144871 187.2
[M+CH3COO]- 324.160521 205.2
[M+Na-2H]- 286.121336 165.9
[M]+ 265.14612142 164.1
[M]- 265.14721858 164.1
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