CID 482246

6-methyl-2-(2-nitrophenyl)-1,3-benzoxazole

Structural Information

Molecular Formula
C14H10N2O3
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O3/c1-9-6-7-11-13(8-9)19-14(15-11)10-4-2-3-5-12(10)16(17)18/h2-8H,1H3
InChIKey
GOPVMVSZMNNWEX-UHFFFAOYSA-N
Compound name
6-methyl-2-(2-nitrophenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.06914 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 153.5
[M+Na]+ 277.05836 163.3
[M-H]- 253.06186 161.8
[M+NH4]+ 272.10296 170.0
[M+K]+ 293.03230 156.4
[M+H-H2O]+ 237.06640 150.4
[M+HCOO]- 299.06734 178.8
[M+CH3COO]- 313.08299 189.1
[M+Na-2H]- 275.04381 162.9
[M]+ 254.06859 156.0
[M]- 254.06969 156.0
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.