CID 11666816

300831-05-4

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CC(C)NC1=NC(=CS1)C2=CC(=O)C3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C16H17N3O2S/c1-9(2)17-16-19-14(8-22-16)13-7-15(20)11-5-4-10(21-3)6-12(11)18-13/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKey
BYDLPLSQNDYWMI-UHFFFAOYSA-N
Compound name
7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

315.10416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 170.8
[M+Na]+ 338.09338 181.4
[M-H]- 314.09688 175.9
[M+NH4]+ 333.13798 185.7
[M+K]+ 354.06732 175.4
[M+H-H2O]+ 298.10142 163.2
[M+HCOO]- 360.10236 188.0
[M+CH3COO]- 374.11801 182.3
[M+Na-2H]- 336.07883 172.8
[M]+ 315.10361 175.7
[M]- 315.10471 175.7
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