CID 66558287

Nlg919

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
InChI
InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
InChIKey
YTRRAUACYORZLX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

509
Patents

282.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.1
[M+Na]+ 305.162438 173.3
[M-H]- 281.165944 171.9
[M+NH4]+ 300.207043 185.6
[M+K]+ 321.136378 168.0
[M+H-H2O]+ 265.170480 159.8
[M+HCOO]- 327.171421 183.0
[M+CH3COO]- 341.187071 177.8
[M+Na-2H]- 303.147886 167.8
[M]+ 282.17267142 164.1
[M]- 282.17376858 164.1
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