CID 4360600

52299-73-7

Structural Information

Molecular Formula

C₁₄H₁₄NO

SMILES

CC[N+]1=C(OC2=C1C3=CC=CC=C3C=C2)C

InChI

InChI=1S/C14H14NO/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15/h4-9H,3H2,1-2H3/q+1

InChIKey

BPCMEPJKFUTFKB-UHFFFAOYSA-N

Compound name

1-ethyl-2-methylbenzo[e][1,3]benzoxazol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.10754 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.11482	146.5
[M+Na]+	235.09676	158.3
[M-H]-	211.10026	152.7
[M+NH4]+	230.14136	167.0
[M+K]+	251.07070	149.5
[M+H-H2O]+	195.10480	142.8
[M+HCOO]-	257.10574	169.0
[M+CH3COO]-	271.12139	182.8
[M+Na-2H]-	233.08221	157.2
[M]+	212.10699	150.4
[M]-	212.10809	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe