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]+ 358.118606 179.8
[M+Na]+ 380.100548 192.1
[M-H]- 356.104054 192.2
[M+NH4]+ 375.145153 192.4
[M+K]+ 396.074488 187.9
[M+H-H2O]+ 340.108590 171.0
[M+HCOO]- 402.109531 203.9
[M+CH3COO]- 416.125181 192.7
[M+Na-2H]- 378.085996 186.3
[M]+ 357.11078142 187.2
[M]- 357.11187858 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.