CID 62344

Acridine orange

Structural Information

Molecular Formula
C17H19N3
SMILES
CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C
InChI
InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
InChIKey
DPKHZNPWBDQZCN-UHFFFAOYSA-N
Compound name
3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2346
References

48721
Patents

265.1579 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.5
[M+Na]+ 288.14712 170.5
[M-H]- 264.15062 168.7
[M+NH4]+ 283.19172 179.9
[M+K]+ 304.12106 167.4
[M+H-H2O]+ 248.15516 152.6
[M+HCOO]- 310.15610 186.0
[M+CH3COO]- 324.17175 174.5
[M+Na-2H]- 286.13257 170.0
[M]+ 265.15735 165.8
[M]- 265.15845 165.8
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.