CID 28819670

4-(4-methoxyphenyl)-1,4-diazepan-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=CC=C(C=C1)N2CCCNC(=O)C2
InChI
InChI=1S/C12H16N2O2/c1-16-11-5-3-10(4-6-11)14-8-2-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKey
KKOAKZDZAWZPEG-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1,4-diazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.6
[M+Na]+ 243.11041 159.8
[M+NH4]+ 238.15501 156.1
[M+K]+ 259.08435 155.3
[M-H]- 219.11391 151.4
[M+Na-2H]- 241.09586 155.7
[M]+ 220.12064 151.4
[M]- 220.12174 151.4
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.