CID 793037

6992-73-0

Structural Information

Molecular Formula
C19H19N2O2
SMILES
CC[N+]1=C(OC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C19H19N2O2/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3/q+1
InChIKey
NQTXPVKTJIZKTC-UHFFFAOYSA-N
Compound name
N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

307.14465 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15193 176.2
[M+Na]+ 330.13387 184.0
[M-H]- 306.13737 185.0
[M+NH4]+ 325.17847 191.1
[M+K]+ 346.10781 175.3
[M+H-H2O]+ 290.14191 170.0
[M+HCOO]- 352.14285 199.4
[M+CH3COO]- 366.15850 202.5
[M+Na-2H]- 328.11932 182.7
[M]+ 307.14410 179.6
[M]- 307.14520 179.6
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.