CID 19768

Brn 4151017

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1C2=C3C(=C(NC3=CC=C2)C(=O)N4CCCCC4)CCN1
InChI
InChI=1S/C18H23N3O/c1-12-13-6-5-7-15-16(13)14(8-9-19-12)17(20-15)18(22)21-10-3-2-4-11-21/h5-7,12,19-20H,2-4,8-11H2,1H3
InChIKey
WGZWPLZNQCSXCL-UHFFFAOYSA-N
Compound name
(9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 172.9
[M+Na]+ 320.17332 177.9
[M-H]- 296.17682 175.0
[M+NH4]+ 315.21792 185.9
[M+K]+ 336.14726 174.4
[M+H-H2O]+ 280.18136 163.9
[M+HCOO]- 342.18230 183.1
[M+CH3COO]- 356.19795 180.8
[M+Na-2H]- 318.15877 173.7
[M]+ 297.18355 164.5
[M]- 297.18465 164.5
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.