CID 293425

1,1-diethyl-3-(9-julolidinyl)urea

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCN(CC)C(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C17H25N3O/c1-3-19(4-2)17(21)18-15-11-13-7-5-9-20-10-6-8-14(12-15)16(13)20/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKey
AXEAYYRSPZVKHY-UHFFFAOYSA-N
Compound name
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 168.7
[M+Na]+ 310.18899 178.7
[M+NH4]+ 305.23359 177.4
[M+K]+ 326.16293 171.5
[M-H]- 286.19249 172.0
[M+Na-2H]- 308.17444 172.1
[M]+ 287.19922 170.8
[M]- 287.20032 170.8
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.