CID 2291556

433249-94-6

Structural Information

Molecular Formula
C17H17NO
SMILES
CC1=CC(=C(C=C1)C)N/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO/c1-13-8-9-14(2)16(12-13)18-11-10-17(19)15-6-4-3-5-7-15/h3-12,18H,1-2H3/b11-10+
InChIKey
SARYOFMRLSHZFE-ZHACJKMWSA-N
Compound name
(E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

251.13101 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 158.7
[M+Na]+ 274.12023 165.4
[M-H]- 250.12373 165.3
[M+NH4]+ 269.16483 175.5
[M+K]+ 290.09417 160.6
[M+H-H2O]+ 234.12827 151.0
[M+HCOO]- 296.12921 182.7
[M+CH3COO]- 310.14486 198.7
[M+Na-2H]- 272.10568 162.9
[M]+ 251.13046 158.2
[M]- 251.13156 158.2
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

patents stripe