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]+ 266.15395 163.0
[M+Na]+ 288.13589 169.4
[M-H]- 264.13939 170.9
[M+NH4]+ 283.18049 179.8
[M+K]+ 304.10983 165.8
[M+H-H2O]+ 248.14393 154.9
[M+HCOO]- 310.14487 187.2
[M+CH3COO]- 324.16052 205.2
[M+Na-2H]- 286.12134 165.9
[M]+ 265.14612 164.1
[M]- 265.14722 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.