CID 216921

37853-35-3

Structural Information

Molecular Formula
C16H11N3O4
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O4/c20-16(12-6-8-13(9-7-12)19(21)22)17-15-10-14(18-23-15)11-4-2-1-3-5-11/h1-10H,(H,17,20)
InChIKey
GOZNQLDRGXPGTB-UHFFFAOYSA-N
Compound name
4-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07495 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08223 167.7
[M+Na]+ 332.06417 173.2
[M-H]- 308.06767 177.3
[M+NH4]+ 327.10877 179.3
[M+K]+ 348.03811 166.6
[M+H-H2O]+ 292.07221 162.7
[M+HCOO]- 354.07315 192.7
[M+CH3COO]- 368.08880 198.7
[M+Na-2H]- 330.04962 174.8
[M]+ 309.07440 166.7
[M]- 309.07550 166.7
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.