CID 65945

Deriglidole

Structural Information

Molecular Formula
C16H21N3
SMILES
CCCC1(CC2=CC=CC3=C2N1CC3)C4=NCCN4
InChI
InChI=1S/C16H21N3/c1-2-7-16(15-17-8-9-18-15)11-13-5-3-4-12-6-10-19(16)14(12)13/h3-5H,2,6-11H2,1H3,(H,17,18)
InChIKey
BADQRNHAZHSOKC-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-3-propyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1965
Patents

255.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 160.3
[M+Na]+ 278.16277 170.6
[M+NH4]+ 273.20737 170.7
[M+K]+ 294.13671 167.0
[M-H]- 254.16627 162.0
[M+Na-2H]- 276.14822 164.6
[M]+ 255.17300 162.2
[M]- 255.17410 162.2
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

patents stripe