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
9
Annotation Hits

1956
References

27938
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 191.7
[M+Na]+ 392.20568 195.3
[M-H]- 368.20918 192.5
[M+NH4]+ 387.25028 198.0
[M+K]+ 408.17962 188.4
[M+H-H2O]+ 352.21372 178.5
[M+HCOO]- 414.21466 200.7
[M+CH3COO]- 428.23031 197.4
[M+Na-2H]- 390.19113 190.9
[M]+ 369.21591 186.3
[M]- 369.21701 186.3
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.