CID 215631

35965-92-5

Structural Information

Molecular Formula
C16H19BrN2O
SMILES
C=CCC1(CNC(=O)N(C1)C2=CC=C(C=C2)Br)CC=C
InChI
InChI=1S/C16H19BrN2O/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
RWFPTRARHIBOTO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-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

334.06808 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07536 168.6
[M+Na]+ 357.05730 178.3
[M-H]- 333.06080 173.2
[M+NH4]+ 352.10190 184.9
[M+K]+ 373.03124 164.3
[M+H-H2O]+ 317.06534 167.3
[M+HCOO]- 379.06628 182.7
[M+CH3COO]- 393.08193 203.4
[M+Na-2H]- 355.04275 172.5
[M]+ 334.06753 183.3
[M]- 334.06863 183.3
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.