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]+ 299.18663 172.4
[M+Na]+ 321.16857 180.8
[M-H]- 297.17207 173.1
[M+NH4]+ 316.21317 186.9
[M+K]+ 337.14251 175.6
[M+H-H2O]+ 281.17661 163.7
[M+HCOO]- 343.17755 189.9
[M+CH3COO]- 357.19320 182.5
[M+Na-2H]- 319.15402 176.5
[M]+ 298.17880 175.3
[M]- 298.17990 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.