CID 465288

Phenyl(propyl)[?]one

Structural Information

Molecular Formula
C19H21N3O
SMILES
CCCN1CC(N2C3=C(C1)C=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21N3O/c1-2-11-21-12-15-9-6-10-16-18(15)22(19(23)20-16)17(13-21)14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3,(H,20,23)
InChIKey
KNWKLRLXJUXIEP-UHFFFAOYSA-N
Compound name
12-phenyl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.16846 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 175.7
[M+Na]+ 330.15768 184.6
[M-H]- 306.16118 180.2
[M+NH4]+ 325.20228 189.5
[M+K]+ 346.13162 180.9
[M+H-H2O]+ 290.16572 166.6
[M+HCOO]- 352.16666 191.9
[M+CH3COO]- 366.18231 185.7
[M+Na-2H]- 328.14313 179.4
[M]+ 307.16791 174.2
[M]- 307.16901 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.