CID 51057055

763110-84-5

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCC3=NN=NN3C4CCCCC4
InChI
InChI=1S/C20H24N4O3/c1-14-12-20(25)27-18-13-16(9-10-17(14)18)26-11-5-8-19-21-22-23-24(19)15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3
InChIKey
JXOFAJHBACKKDP-UHFFFAOYSA-N
Compound name
7-[3-(1-cyclohexyltetrazol-5-yl)propoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 188.6
[M+Na]+ 391.17406 203.9
[M+NH4]+ 386.21866 194.7
[M+K]+ 407.14800 198.2
[M-H]- 367.17756 193.7
[M+Na-2H]- 389.15951 195.5
[M]+ 368.18429 192.2
[M]- 368.18539 192.2
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

No patent data available for this compound.