CID 57469

Imiquimod

Structural Information

Molecular Formula
C14H16N4
SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKey
DOUYETYNHWVLEO-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4280
References

81029
Patents

240.1375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14478 155.8
[M+Na]+ 263.12672 166.6
[M-H]- 239.13022 157.8
[M+NH4]+ 258.17132 173.4
[M+K]+ 279.10066 161.4
[M+H-H2O]+ 223.13476 147.4
[M+HCOO]- 285.13570 176.1
[M+CH3COO]- 299.15135 168.0
[M+Na-2H]- 261.11217 161.9
[M]+ 240.13695 157.8
[M]- 240.13805 157.8
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