CID 202086

4-pentenamide, 2-allyl-2-(p-aminophenyl)-

Structural Information

Molecular Formula
C14H18N2O
SMILES
C=CCC(CC=C)(C1=CC=C(C=C1)N)C(=O)N
InChI
InChI=1S/C14H18N2O/c1-3-9-14(10-4-2,13(16)17)11-5-7-12(15)8-6-11/h3-8H,1-2,9-10,15H2,(H2,16,17)
InChIKey
YYJPSGBQQMRFPO-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 155.2
[M+Na]+ 253.131118 160.7
[M-H]- 229.134624 157.4
[M+NH4]+ 248.175723 172.0
[M+K]+ 269.105058 156.4
[M+H-H2O]+ 213.139160 148.8
[M+HCOO]- 275.140101 177.1
[M+CH3COO]- 289.155751 196.8
[M+Na-2H]- 251.116566 157.9
[M]+ 230.14135142 151.9
[M]- 230.14244858 151.9
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.