CID 2754

Cilostazol

Structural Information

Molecular Formula
C20H27N5O2
SMILES
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
InChIKey
RRGUKTPIGVIEKM-UHFFFAOYSA-N
Compound name
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1943
References

27887
Patents

369.21646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22374 192.7
[M+Na]+ 392.20568 204.2
[M+NH4]+ 387.25028 198.1
[M+K]+ 408.17962 198.7
[M-H]- 368.20918 194.9
[M+Na-2H]- 390.19113 197.2
[M]+ 369.21591 194.6
[M]- 369.21701 194.6
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