CID 113005

159505-46-1

Structural Information

Molecular Formula
C15H14NO
SMILES
CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C15H14NO/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3/q+1
InChIKey
MUONPSGCTQKTRZ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.10754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11482 150.5
[M+Na]+ 247.09676 161.9
[M-H]- 223.10026 159.0
[M+NH4]+ 242.14136 169.2
[M+K]+ 263.07070 152.9
[M+H-H2O]+ 207.10480 146.0
[M+HCOO]- 269.10574 174.2
[M+CH3COO]- 283.12139 183.9
[M+Na-2H]- 245.08221 160.0
[M]+ 224.10699 153.5
[M]- 224.10809 153.5
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

patents stripe