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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 164.6
[M+Na]+ 313.09475 176.2
[M-H]- 289.09825 172.5
[M+NH4]+ 308.13935 181.1
[M+K]+ 329.06869 172.6
[M+H-H2O]+ 273.10279 155.1
[M+HCOO]- 335.10373 186.3
[M+CH3COO]- 349.11938 177.7
[M+Na-2H]- 311.08020 175.4
[M]+ 290.10498 170.2
[M]- 290.10608 170.2
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.