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

2345
References

50137
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

literature stripe

Patent stripe

patents stripe