CID 24212849

853333-54-7

Structural Information

Molecular Formula
C19H24N4S
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C3=NC(=CS3)C
InChI
InChI=1S/C19H24N4S/c1-4-23(5-2)11-10-20-17-12-18(19-21-14(3)13-24-19)22-16-9-7-6-8-15(16)17/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,22)
InChIKey
PEHLXOOSCOCFRR-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17218 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 180.4
[M+Na]+ 363.16140 189.0
[M-H]- 339.16490 187.2
[M+NH4]+ 358.20600 195.3
[M+K]+ 379.13534 183.3
[M+H-H2O]+ 323.16944 171.1
[M+HCOO]- 385.17038 200.1
[M+CH3COO]- 399.18603 191.4
[M+Na-2H]- 361.14685 183.0
[M]+ 340.17163 186.7
[M]- 340.17273 186.7
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.