CID 9984488

Dtxcid5027271

Structural Information

Molecular Formula
C25H30N4OS
SMILES
CC1=CC(=CC2=C1NC(=O)CC2(C)C)CCN3CCN(CC3)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C25H30N4OS/c1-17-14-18(15-20-23(17)26-22(30)16-25(20,2)3)8-9-28-10-12-29(13-11-28)24-19-6-4-5-7-21(19)31-27-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,30)
InChIKey
SRAQFALNAGNAQE-UHFFFAOYSA-N
Compound name
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4,8-trimethyl-1,3-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

434.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22130 207.2
[M+Na]+ 457.20324 215.6
[M-H]- 433.20674 211.5
[M+NH4]+ 452.24784 217.1
[M+K]+ 473.17718 206.6
[M+H-H2O]+ 417.21128 196.2
[M+HCOO]- 479.21222 212.6
[M+CH3COO]- 493.22787 213.9
[M+Na-2H]- 455.18869 204.9
[M]+ 434.21347 206.2
[M]- 434.21457 206.2
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

patents stripe