CID 3055205

72070-07-6

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H12N2O2/c17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9,15H,10H2
InChIKey
JKIKTJSHEJCKTE-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 149.4
[M+Na]+ 263.07909 159.8
[M-H]- 239.08259 157.4
[M+NH4]+ 258.12369 167.0
[M+K]+ 279.05303 156.4
[M+H-H2O]+ 223.08713 141.7
[M+HCOO]- 285.08807 175.3
[M+CH3COO]- 299.10372 163.5
[M+Na-2H]- 261.06454 158.6
[M]+ 240.08932 152.9
[M]- 240.09042 152.9
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.