CID 3013294

785836-64-8

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-21(13-16-7-3-1-4-8-16)23-18-11-12-20-19(15-18)24-22(26-20)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,23,25)
InChIKey
MBIFLGHNRXIRQP-UHFFFAOYSA-N
Compound name
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

342.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 181.0
[M+Na]+ 365.12606 188.6
[M-H]- 341.12956 191.2
[M+NH4]+ 360.17066 193.4
[M+K]+ 381.10000 183.5
[M+H-H2O]+ 325.13410 171.0
[M+HCOO]- 387.13504 204.1
[M+CH3COO]- 401.15069 192.1
[M+Na-2H]- 363.11151 186.7
[M]+ 342.13629 183.6
[M]- 342.13739 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe