CID 219004

Alpha-allyl-alpha-(p-bromophenyl)-allophanyl-gamma-methyl-gamma-butyrolactone

Structural Information

Molecular Formula
C16H17BrN2O4
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H17BrN2O4/c1-3-8-16(9-10(2)23-14(16)21)13(20)19-15(22)18-12-6-4-11(17)5-7-12/h3-7,10H,1,8-9H2,2H3,(H2,18,19,20,22)
InChIKey
IVPYBJJUIZDWDO-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)carbamoyl]-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.03717 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04445 179.7
[M+Na]+ 403.02639 188.2
[M-H]- 379.02989 189.0
[M+NH4]+ 398.07099 196.7
[M+K]+ 419.00033 177.5
[M+H-H2O]+ 363.03443 178.4
[M+HCOO]- 425.03537 199.2
[M+CH3COO]- 439.05102 215.0
[M+Na-2H]- 401.01184 181.9
[M]+ 380.03662 197.9
[M]- 380.03772 197.9
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.