CID 215632

35965-93-6

Structural Information

Molecular Formula
C20H22N2O
SMILES
C=CCC1(CNC(=O)N(C1)C2=CC=CC3=CC=CC=C32)CC=C
InChI
InChI=1S/C20H22N2O/c1-3-12-20(13-4-2)14-21-19(23)22(15-20)18-11-7-9-16-8-5-6-10-17(16)18/h3-11H,1-2,12-15H2,(H,21,23)
InChIKey
QGNQTXDVGFTFHN-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-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

306.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 176.1
[M+Na]+ 329.16244 182.6
[M-H]- 305.16594 178.5
[M+NH4]+ 324.20704 190.2
[M+K]+ 345.13638 174.9
[M+H-H2O]+ 289.17048 166.5
[M+HCOO]- 351.17142 190.4
[M+CH3COO]- 365.18707 185.0
[M+Na-2H]- 327.14789 179.4
[M]+ 306.17267 171.5
[M]- 306.17377 171.5
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.