CID 3063318

Brn 6002901

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NCN4C5=CC=CC=C5OC4=O
InChI
InChI=1S/C21H15N3O3/c25-21-24(17-6-2-4-8-19(17)27-21)13-22-15-11-9-14(10-12-15)20-23-16-5-1-3-7-18(16)26-20/h1-12,22H,13H2
InChIKey
AHBJZRKYHXIJOK-UHFFFAOYSA-N
Compound name
3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11133 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 179.8
[M+Na]+ 380.10055 192.1
[M-H]- 356.10405 192.2
[M+NH4]+ 375.14515 192.4
[M+K]+ 396.07449 187.9
[M+H-H2O]+ 340.10859 171.0
[M+HCOO]- 402.10953 203.9
[M+CH3COO]- 416.12518 192.7
[M+Na-2H]- 378.08600 186.3
[M]+ 357.11078 187.2
[M]- 357.11188 187.2
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.