CID 10045635

4-hydroxycilostazol

Structural Information

Molecular Formula
C20H27N5O3
SMILES
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4O
InChI
InChI=1S/C20H27N5O3/c26-18-13-20(27)21-17-10-9-15(12-16(17)18)28-11-5-4-8-19-22-23-24-25(19)14-6-2-1-3-7-14/h9-10,12,14,18,26H,1-8,11,13H2,(H,21,27)
InChIKey
FCWDVHXHKQJPQA-UHFFFAOYSA-N
Compound name
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

385.2114 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.218676 195.1
[M+Na]+ 408.200618 198.9
[M-H]- 384.204124 195.1
[M+NH4]+ 403.245223 200.3
[M+K]+ 424.174558 192.0
[M+H-H2O]+ 368.208660 182.5
[M+HCOO]- 430.209601 202.8
[M+CH3COO]- 444.225251 200.3
[M+Na-2H]- 406.186066 193.4
[M]+ 385.21085142 189.8
[M]- 385.21194858 189.8
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