CID 215630

35965-91-4

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
C=CCC1(CNC(=O)N(C1)C2=CC=C(C=C2)Cl)CC=C
InChI
InChI=1S/C16H19ClN2O/c1-3-9-16(10-4-2)11-18-15(20)19(12-16)14-7-5-13(17)6-8-14/h3-8H,1-2,9-12H2,(H,18,20)
InChIKey
XXECLDGAFVXFPR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 167.4
[M+Na]+ 313.10782 175.0
[M-H]- 289.11132 169.2
[M+NH4]+ 308.15242 182.4
[M+K]+ 329.08176 167.4
[M+H-H2O]+ 273.11586 159.7
[M+HCOO]- 335.11680 178.8
[M+CH3COO]- 349.13245 198.1
[M+Na-2H]- 311.09327 169.5
[M]+ 290.11805 164.8
[M]- 290.11915 164.8
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.