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

32100
Patents

318.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.144116 174.3
[M+Na]+ 341.126058 184.9
[M-H]- 317.129564 181.7
[M+NH4]+ 336.170663 189.6
[M+K]+ 357.099998 180.9
[M+H-H2O]+ 301.134100 164.3
[M+HCOO]- 363.135041 195.2
[M+CH3COO]- 377.150691 186.4
[M+Na-2H]- 339.111506 183.9
[M]+ 318.13629142 180.4
[M]- 318.13738858 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

literature stripe

Patent stripe

patents stripe