CID 364837

Nsc631636

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C=CCC(C1=CC=CC=C1)C(=O)NC(=O)N
InChI
InChI=1S/C12H14N2O2/c1-2-6-10(11(15)14-12(13)16)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H3,13,14,15,16)
InChIKey
JLRPUDKXLPLMOJ-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-phenylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 150.7
[M+Na]+ 241.09475 155.3
[M-H]- 217.09825 153.4
[M+NH4]+ 236.13935 167.8
[M+K]+ 257.06869 152.9
[M+H-H2O]+ 201.10279 143.8
[M+HCOO]- 263.10373 173.8
[M+CH3COO]- 277.11938 192.4
[M+Na-2H]- 239.08020 153.0
[M]+ 218.10498 147.8
[M]- 218.10608 147.8
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.