CID 377664

Nsc659245

Structural Information

Molecular Formula
C15H21N3O
SMILES
CN(C)C(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C15H21N3O/c1-17(2)15(19)16-13-9-11-5-3-7-18-8-4-6-12(10-13)14(11)18/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKey
UIFZYBLZIJEBCT-UHFFFAOYSA-N
Compound name
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 159.5
[M+Na]+ 282.15768 163.2
[M-H]- 258.16118 162.7
[M+NH4]+ 277.20228 177.1
[M+K]+ 298.13162 160.9
[M+H-H2O]+ 242.16572 151.2
[M+HCOO]- 304.16666 176.5
[M+CH3COO]- 318.18231 206.0
[M+Na-2H]- 280.14313 164.9
[M]+ 259.16791 156.1
[M]- 259.16901 156.1
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.