CID 24209020

853333-52-5

Structural Information

Molecular Formula
C17H17N3S
SMILES
CC1=CSC(=N1)C2=NC3=CC=CC=C3C(=C2)N4CCCC4
InChI
InChI=1S/C17H17N3S/c1-12-11-21-17(18-12)15-10-16(20-8-4-5-9-20)13-6-2-3-7-14(13)19-15/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKey
LHODVLVGAITXEJ-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-pyrrolidin-1-ylquinolin-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11432 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.121596 167.5
[M+Na]+ 318.103538 178.6
[M-H]- 294.107044 175.6
[M+NH4]+ 313.148143 184.5
[M+K]+ 334.077478 172.6
[M+H-H2O]+ 278.111580 159.2
[M+HCOO]- 340.112521 183.9
[M+CH3COO]- 354.128171 179.7
[M+Na-2H]- 316.088986 167.1
[M]+ 295.11377142 169.7
[M]- 295.11486858 169.7
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.