CID 44592366

Gardiquimod

Structural Information

Molecular Formula
C17H23N5O
SMILES
CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)
InChIKey
FHJATBIERQTCTN-UHFFFAOYSA-N
Compound name
1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

1377
Patents

313.19025 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.197526 177.8
[M+Na]+ 336.179468 187.1
[M-H]- 312.182974 178.5
[M+NH4]+ 331.224073 191.6
[M+K]+ 352.153408 181.3
[M+H-H2O]+ 296.187510 169.6
[M+HCOO]- 358.188451 195.9
[M+CH3COO]- 372.204101 212.4
[M+Na-2H]- 334.164916 183.9
[M]+ 313.18970142 180.1
[M]- 313.19079858 180.1
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