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
2
Annotation Hits

14
References

2149
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 161.4
[M+Na]+ 278.16277 169.0
[M-H]- 254.16627 164.3
[M+NH4]+ 273.20737 183.1
[M+K]+ 294.13671 163.9
[M+H-H2O]+ 238.17081 153.3
[M+HCOO]- 300.17175 177.8
[M+CH3COO]- 314.18740 172.3
[M+Na-2H]- 276.14822 161.6
[M]+ 255.17300 159.8
[M]- 255.17410 159.8
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.