CID 5272790

Schembl9803997

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC1=NC2=CC=CC=C2C(=C1)OCCCCCCN3C=CN=C3
InChI
InChI=1S/C19H23N3O/c1-16-14-19(17-8-4-5-9-18(17)21-16)23-13-7-3-2-6-11-22-12-10-20-15-22/h4-5,8-10,12,14-15H,2-3,6-7,11,13H2,1H3
InChIKey
RYXYZSCLDVZUQM-UHFFFAOYSA-N
Compound name
4-(6-imidazol-1-ylhexoxy)-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.1841 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.4
[M+Na]+ 332.17332 183.9
[M-H]- 308.17682 178.7
[M+NH4]+ 327.21792 188.9
[M+K]+ 348.14726 177.9
[M+H-H2O]+ 292.18136 164.7
[M+HCOO]- 354.18230 196.1
[M+CH3COO]- 368.19795 186.0
[M+Na-2H]- 330.15877 180.3
[M]+ 309.18355 180.6
[M]- 309.18465 180.6
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

patents stripe