CID 460369

6-allyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1h)-one

Structural Information

Molecular Formula
C14H16N2O
SMILES
C=CCC1CCN2C3=C(C1)C=CC=C3NC2=O
InChI
InChI=1S/C14H16N2O/c1-2-4-10-7-8-16-13-11(9-10)5-3-6-12(13)15-14(16)17/h2-3,5-6,10H,1,4,7-9H2,(H,15,17)
InChIKey
PQNJPRXVEVZOTA-UHFFFAOYSA-N
Compound name
10-prop-2-enyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.1
[M+Na]+ 251.11549 160.0
[M-H]- 227.11899 153.9
[M+NH4]+ 246.16009 169.5
[M+K]+ 267.08943 157.5
[M+H-H2O]+ 211.12353 144.8
[M+HCOO]- 273.12447 169.2
[M+CH3COO]- 287.14012 162.9
[M+Na-2H]- 249.10094 156.4
[M]+ 228.12572 149.0
[M]- 228.12682 149.0
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.