CID 113911

63816-20-6

Structural Information

Molecular Formula
C16H14ClN2O
SMILES
C[N+]1=C(OC2=C1C=CC(=C2)Cl)C=CNC3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)11-15(14)20-16(19)9-10-18-13-5-3-2-4-6-13/h2-11H,1H3/p+1
InChIKey
VXPBCWCCABYCIA-UHFFFAOYSA-O
Compound name
N-[2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07947 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08675 161.6
[M+Na]+ 308.06869 180.5
[M+NH4]+ 303.11329 172.1
[M+K]+ 324.04263 173.4
[M-H]- 284.07219 170.0
[M+Na-2H]- 306.05414 171.7
[M]+ 285.07892 167.6
[M]- 285.08002 167.6
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.