CID 401590

4-methoxy-n-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

Structural Information

Molecular Formula
C21H16N2O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O3/c1-25-17-10-7-14(8-11-17)20(24)22-16-9-12-19-18(13-16)23-21(26-19)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,24)
InChIKey
YVMCVAPSNQKBSD-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

344.1161 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 180.0
[M+Na]+ 367.10532 188.8
[M-H]- 343.10882 190.9
[M+NH4]+ 362.14992 192.6
[M+K]+ 383.07926 184.7
[M+H-H2O]+ 327.11336 170.3
[M+HCOO]- 389.11430 203.6
[M+CH3COO]- 403.12995 191.7
[M+Na-2H]- 365.09077 185.6
[M]+ 344.11555 184.1
[M]- 344.11665 184.1
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