CID 65182

Nile red

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2
InChI
InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
InChIKey
VOFUROIFQGPCGE-UHFFFAOYSA-N
Compound name
9-(diethylamino)benzo[a]phenoxazin-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

694
References

31704
Patents

318.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 174.3
[M+Na]+ 341.12606 184.9
[M-H]- 317.12956 181.7
[M+NH4]+ 336.17066 189.6
[M+K]+ 357.10000 180.9
[M+H-H2O]+ 301.13410 164.3
[M+HCOO]- 363.13504 195.2
[M+CH3COO]- 377.15069 186.4
[M+Na-2H]- 339.11151 183.9
[M]+ 318.13629 180.4
[M]- 318.13739 180.4
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.