CID 3034939

63467-92-5

Structural Information

Molecular Formula
C19H19N2O
SMILES
CC[N+]1=C(OC2=CC=CC=C21)C=CC=CNC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O/c1-2-21-17-12-6-7-13-18(17)22-19(21)14-8-9-15-20-16-10-4-3-5-11-16/h3-15H,2H2,1H3/p+1
InChIKey
QVEXMONPFWLPDR-UHFFFAOYSA-O
Compound name
N-[4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.14975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15703 171.9
[M+Na]+ 314.13897 180.2
[M-H]- 290.14247 179.1
[M+NH4]+ 309.18357 187.0
[M+K]+ 330.11291 168.9
[M+H-H2O]+ 274.14701 165.9
[M+HCOO]- 336.14795 195.5
[M+CH3COO]- 350.16360 196.4
[M+Na-2H]- 312.12442 180.3
[M]+ 291.14920 173.4
[M]- 291.15030 173.4
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.