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]+ 259.180496 163.5
[M+Na]+ 281.162438 168.3
[M-H]- 257.165944 167.4
[M+NH4]+ 276.207043 180.1
[M+K]+ 297.136378 165.3
[M+H-H2O]+ 241.170480 156.6
[M+HCOO]- 303.171421 185.9
[M+CH3COO]- 317.187071 206.8
[M+Na-2H]- 279.147886 165.6
[M]+ 258.17267142 163.2
[M]- 258.17376858 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.