CID 634637

16515-58-5

Structural Information

Molecular Formula
C26H23N3O3
SMILES
CCCCOC1=CC2=NN(N=C2C=C1C)C3=CC4=C(C=C3)C=C(C(=O)O4)C5=CC=CC=C5
InChI
InChI=1S/C26H23N3O3/c1-3-4-12-31-24-16-23-22(13-17(24)2)27-29(28-23)20-11-10-19-14-21(18-8-6-5-7-9-18)26(30)32-25(19)15-20/h5-11,13-16H,3-4,12H2,1-2H3
InChIKey
JMSUKSPHFGUCQV-UHFFFAOYSA-N
Compound name
7-(5-butoxy-6-methylbenzotriazol-2-yl)-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.17395 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18123 207.4
[M+Na]+ 448.16317 218.6
[M-H]- 424.16667 216.6
[M+NH4]+ 443.20777 215.5
[M+K]+ 464.13711 211.9
[M+H-H2O]+ 408.17121 194.9
[M+HCOO]- 470.17215 225.5
[M+CH3COO]- 484.18780 217.0
[M+Na-2H]- 446.14862 210.3
[M]+ 425.17340 214.6
[M]- 425.17450 214.6
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.