CID 3041251

53736-48-4

Structural Information

Molecular Formula
C19H15ClN4O5
SMILES
C1=CC2=C(C(=C1)OCC(COC3=CC=C(C=C3)Cl)O)C(=O)C=C(O2)C4=NNN=N4
InChI
InChI=1S/C19H15ClN4O5/c20-11-4-6-13(7-5-11)27-9-12(25)10-28-15-2-1-3-16-18(15)14(26)8-17(29-16)19-21-23-24-22-19/h1-8,12,25H,9-10H2,(H,21,22,23,24)
InChIKey
WMMASSSXZPGHJX-UHFFFAOYSA-N
Compound name
5-[3-(4-chlorophenoxy)-2-hydroxypropoxy]-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.0731 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.08038 193.4
[M+Na]+ 437.06232 210.0
[M+NH4]+ 432.10692 198.2
[M+K]+ 453.03626 205.5
[M-H]- 413.06582 197.2
[M+Na-2H]- 435.04777 200.9
[M]+ 414.07255 197.1
[M]- 414.07365 197.1
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