CID 6438073

35139-98-1

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CN1C(=O)C2CCC(C1=O)N2C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O3/c1-17-15(20)12-8-9-13(16(17)21)18(12)14(19)10-7-11-5-3-2-4-6-11/h2-7,10,12-13H,8-9H2,1H3/b10-7+
InChIKey
ICGQGUKMXAOFOU-JXMROGBWSA-N
Compound name
3-methyl-8-[(E)-3-phenylprop-2-enoyl]-3,8-diazabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 166.5
[M+Na]+ 307.10532 177.6
[M+NH4]+ 302.14992 173.1
[M+K]+ 323.07926 173.2
[M-H]- 283.10882 166.9
[M+Na-2H]- 305.09077 168.6
[M]+ 284.11555 167.8
[M]- 284.11665 167.8
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.