CID 67235

Indophenol blue

Structural Information

Molecular Formula

C₁₈H₁₆N₂O

SMILES

CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23

InChI

InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3

InChIKey

VRZJGENLTNRAIG-UHFFFAOYSA-N

Compound name

4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1521
Patents: 276.12625 Da
Monoisotopic Mass: 4.0
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]+	277.13353	164.1
[M+Na]+	299.11547	179.2
[M+NH4]+	294.16007	173.8
[M+K]+	315.08941	170.1
[M-H]-	275.11897	171.6
[M+Na-2H]-	297.10092	174.2
[M]+	276.12570	168.5
[M]-	276.12680	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe