CID 6433768

20682-53-5

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCN(CC)CCN(C1=C(C=CC=C1C)C)C(=O)/C=C/C
InChI
InChI=1S/C18H28N2O/c1-6-10-17(21)20(14-13-19(7-2)8-3)18-15(4)11-9-12-16(18)5/h6,9-12H,7-8,13-14H2,1-5H3/b10-6+
InChIKey
BELXZWITAIGKBF-UXBLZVDNSA-N
Compound name
(E)-N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

288.22015 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 174.4
[M+Na]+ 311.20937 178.9
[M-H]- 287.21287 180.1
[M+NH4]+ 306.25397 191.2
[M+K]+ 327.18331 177.4
[M+H-H2O]+ 271.21741 166.5
[M+HCOO]- 333.21835 198.6
[M+CH3COO]- 347.23400 217.3
[M+Na-2H]- 309.19482 174.2
[M]+ 288.21960 178.6
[M]- 288.22070 178.6
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