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]+ 291.125876 167.4
[M+Na]+ 313.107818 175.0
[M-H]- 289.111324 169.2
[M+NH4]+ 308.152423 182.4
[M+K]+ 329.081758 167.4
[M+H-H2O]+ 273.115860 159.7
[M+HCOO]- 335.116801 178.8
[M+CH3COO]- 349.132451 198.1
[M+Na-2H]- 311.093266 169.5
[M]+ 290.11805142 164.8
[M]- 290.11914858 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.