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]+ 284.175736 169.1
[M+Na]+ 306.157678 178.2
[M-H]- 282.161184 170.5
[M+NH4]+ 301.202283 184.4
[M+K]+ 322.131618 174.4
[M+H-H2O]+ 266.165720 161.0
[M+HCOO]- 328.166661 185.1
[M+CH3COO]- 342.182311 179.3
[M+Na-2H]- 304.143126 172.0
[M]+ 283.16791142 168.0
[M]- 283.16900858 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.