CID 3041252

53736-70-2

Structural Information

Molecular Formula
C19H16N4O5
SMILES
C1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C4=NNN=N4)O
InChI
InChI=1S/C19H16N4O5/c24-12(10-26-13-5-2-1-3-6-13)11-27-15-7-4-8-16-18(15)14(25)9-17(28-16)19-20-22-23-21-19/h1-9,12,24H,10-11H2,(H,20,21,22,23)
InChIKey
CCOFWSKESGMMNT-UHFFFAOYSA-N
Compound name
5-(2-hydroxy-3-phenoxypropoxy)-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.11206 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11934 187.0
[M+Na]+ 403.10128 202.3
[M+NH4]+ 398.14588 191.4
[M+K]+ 419.07522 198.7
[M-H]- 379.10478 190.6
[M+Na-2H]- 401.08673 194.6
[M]+ 380.11151 190.1
[M]- 380.11261 190.1
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