CID 76843

2-hydroxynaphthol blue

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

CN(C)C1=CC2=C(C=C1)N=C3C(=CC=C4C3=CC(=O)C=C4)O2

InChI

InChI=1S/C18H14N2O2/c1-20(2)12-5-7-15-17(9-12)22-16-8-4-11-3-6-13(21)10-14(11)18(16)19-15/h3-10H,1-2H3

InChIKey

HPTZLSMMARHQSN-UHFFFAOYSA-N

Compound name

9-(dimethylamino)benzo[a]phenoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 290.10553 Da
Monoisotopic Mass: 2.4
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]+	291.112806	164.6
[M+Na]+	313.094748	176.2
[M-H]-	289.098254	172.5
[M+NH4]+	308.139353	181.1
[M+K]+	329.068688	172.6
[M+H-H2O]+	273.102790	155.1
[M+HCOO]-	335.103731	186.3
[M+CH3COO]-	349.119381	177.7
[M+Na-2H]-	311.080196	175.4
[M]+	290.10498142	170.2
[M]-	290.10607858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.