CID 214650

Brn 0840049

Structural Information

Molecular Formula
C17H12N4O3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=NNN=N4
InChI
InChI=1S/C17H12N4O3/c22-14-9-16(17-18-20-21-19-17)24-15-8-12(6-7-13(14)15)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,20,21)
InChIKey
RTOLKYBAJMRTMR-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09094 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09822 171.6
[M+Na]+ 343.08016 182.8
[M-H]- 319.08366 177.5
[M+NH4]+ 338.12476 180.7
[M+K]+ 359.05410 177.1
[M+H-H2O]+ 303.08820 160.4
[M+HCOO]- 365.08914 190.8
[M+CH3COO]- 379.10479 182.7
[M+Na-2H]- 341.06561 178.9
[M]+ 320.09039 175.2
[M]- 320.09149 175.2
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

patents stripe