CID 353916

Nsc603555

Structural Information

Molecular Formula
C18H19NO2
SMILES
CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h4-12H,1,13H2,2-3H3
InChIKey
SJNPQWMXRQHPDV-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 166.8
[M+Na]+ 304.13079 171.7
[M-H]- 280.13429 174.3
[M+NH4]+ 299.17539 182.3
[M+K]+ 320.10473 169.1
[M+H-H2O]+ 264.13883 158.3
[M+HCOO]- 326.13977 190.1
[M+CH3COO]- 340.15542 207.6
[M+Na-2H]- 302.11624 169.1
[M]+ 281.14102 168.3
[M]- 281.14212 168.3
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.