CID 383963

Nsc672967

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NCC(C)O
InChI
InChI=1S/C17H22N4O/c1-11(2)9-21-10-19-15-16(21)13-6-4-5-7-14(13)20-17(15)18-8-12(3)22/h4-7,10-12,22H,8-9H2,1-3H3,(H,18,20)
InChIKey
LLWAFJIGMJNGTM-UHFFFAOYSA-N
Compound name
1-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 172.4
[M+Na]+ 321.168568 180.8
[M-H]- 297.172074 173.1
[M+NH4]+ 316.213173 186.9
[M+K]+ 337.142508 175.6
[M+H-H2O]+ 281.176610 163.7
[M+HCOO]- 343.177551 189.9
[M+CH3COO]- 357.193201 182.5
[M+Na-2H]- 319.154016 176.5
[M]+ 298.17880142 175.3
[M]- 298.17989858 175.3
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

No patent data available for this compound.