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]+ 296.12160 167.5
[M+Na]+ 318.10354 178.6
[M-H]- 294.10704 175.6
[M+NH4]+ 313.14814 184.5
[M+K]+ 334.07748 172.6
[M+H-H2O]+ 278.11158 159.2
[M+HCOO]- 340.11252 183.9
[M+CH3COO]- 354.12817 179.7
[M+Na-2H]- 316.08899 167.1
[M]+ 295.11377 169.7
[M]- 295.11487 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.