CID 198947

2-allyl-2-phenyl-4-pentenamide

Structural Information

Molecular Formula
C14H17NO
SMILES
C=CCC(CC=C)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C14H17NO/c1-3-10-14(11-4-2,13(15)16)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,15,16)
InChIKey
OLTOLZPJXXAQOK-UHFFFAOYSA-N
Compound name
2-phenyl-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

215.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 151.1
[M+Na]+ 238.12023 156.6
[M-H]- 214.12373 153.6
[M+NH4]+ 233.16483 168.9
[M+K]+ 254.09417 152.6
[M+H-H2O]+ 198.12827 145.0
[M+HCOO]- 260.12921 172.7
[M+CH3COO]- 274.14486 191.1
[M+Na-2H]- 236.10568 155.3
[M]+ 215.13046 149.3
[M]- 215.13156 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe