CID 202102

2-allyl-2-(p-(dimethylamino)phenyl)-4-pentenamide hydrochloride

Structural Information

Molecular Formula
C16H22N2O
SMILES
CN(C)C1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
InChI
InChI=1S/C16H22N2O/c1-5-11-16(12-6-2,15(17)19)13-7-9-14(10-8-13)18(3)4/h5-10H,1-2,11-12H2,3-4H3,(H2,17,19)
InChIKey
HLJVPVSSSDBPFE-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.5
[M+Na]+ 281.16244 168.3
[M-H]- 257.16594 167.4
[M+NH4]+ 276.20704 180.1
[M+K]+ 297.13638 165.3
[M+H-H2O]+ 241.17048 156.6
[M+HCOO]- 303.17142 185.9
[M+CH3COO]- 317.18707 206.8
[M+Na-2H]- 279.14789 165.6
[M]+ 258.17267 163.2
[M]- 258.17377 163.2
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

No patent data available for this compound.