CID 391448

Nsc690652

Structural Information

Molecular Formula
C21H16N2O3
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C21H16N2O3/c24-20(15-22-18-13-7-8-14-19(18)26-21(22)25)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
InChIKey
YGSRXAUCWIDLQX-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-benzoxazol-3-yl)-N,N-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1161 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 179.7
[M+Na]+ 367.10532 187.9
[M-H]- 343.10882 191.6
[M+NH4]+ 362.14992 192.5
[M+K]+ 383.07926 184.5
[M+H-H2O]+ 327.11336 169.6
[M+HCOO]- 389.11430 203.9
[M+CH3COO]- 403.12995 191.6
[M+Na-2H]- 365.09077 185.2
[M]+ 344.11555 183.8
[M]- 344.11665 183.8
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.