CID 3077038

Brn 5821143

Structural Information

Molecular Formula
C15H17N3OS
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)NC(=S)N3C
InChI
InChI=1S/C15H17N3OS/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKey
SLVBIFZPBAWHII-UHFFFAOYSA-N
Compound name
5-butyl-1-methyl-2-sulfanylidene-3H-imidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

287.10922 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 165.4
[M+Na]+ 310.09844 179.2
[M-H]- 286.10194 167.1
[M+NH4]+ 305.14304 182.3
[M+K]+ 326.07238 171.6
[M+H-H2O]+ 270.10648 158.7
[M+HCOO]- 332.10742 180.0
[M+CH3COO]- 346.12307 177.5
[M+Na-2H]- 308.08389 167.7
[M]+ 287.10867 171.4
[M]- 287.10977 171.4
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.