CID 6912953

Einecs 268-035-6

Structural Information

Molecular Formula
C19H21N2O
SMILES
CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)/C=C\NC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-4-21-17-12-14(2)15(3)13-18(17)22-19(21)10-11-20-16-8-6-5-7-9-16/h5-13H,4H2,1-3H3/p+1
InChIKey
MZKPGLRNVVDEIX-UHFFFAOYSA-O
Compound name
N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16537 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17265 173.0
[M+Na]+ 316.15459 182.8
[M-H]- 292.15809 181.1
[M+NH4]+ 311.19919 188.8
[M+K]+ 332.12853 172.2
[M+H-H2O]+ 276.16263 167.5
[M+HCOO]- 338.16357 196.5
[M+CH3COO]- 352.17922 200.2
[M+Na-2H]- 314.14004 180.1
[M]+ 293.16482 176.2
[M]- 293.16592 176.2
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.