CID 159603

Resiquimod

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
InChIKey
BXNMTOQRYBFHNZ-UHFFFAOYSA-N
Compound name
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

627
References

27858
Patents

314.1743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 178.4
[M+Na]+ 337.16352 188.4
[M-H]- 313.16702 179.0
[M+NH4]+ 332.20812 192.4
[M+K]+ 353.13746 183.1
[M+H-H2O]+ 297.17156 170.2
[M+HCOO]- 359.17250 195.6
[M+CH3COO]- 373.18815 209.3
[M+Na-2H]- 335.14897 183.8
[M]+ 314.17375 182.7
[M]- 314.17485 182.7
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