CID 6451105

131515-03-2

Structural Information

Molecular Formula
C17H21N3O
SMILES
C/C=C/C=C/CN1CC2=C3C(=CC=C2)NC(=O)N3CC1C
InChI
InChI=1S/C17H21N3O/c1-3-4-5-6-10-19-12-14-8-7-9-15-16(14)20(11-13(19)2)17(21)18-15/h3-9,13H,10-12H2,1-2H3,(H,18,21)/b4-3+,6-5+
InChIKey
UOSACRMVSHRISH-VNKDHWASSA-N
Compound name
10-[(2E,4E)-hexa-2,4-dienyl]-11-methyl-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

283.16846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 169.1
[M+Na]+ 306.15768 178.2
[M-H]- 282.16118 170.5
[M+NH4]+ 301.20228 184.4
[M+K]+ 322.13162 174.4
[M+H-H2O]+ 266.16572 161.0
[M+HCOO]- 328.16666 185.1
[M+CH3COO]- 342.18231 179.3
[M+Na-2H]- 304.14313 172.0
[M]+ 283.16791 168.0
[M]- 283.16901 168.0
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.