CID 416254

Ns00116183

Structural Information

Molecular Formula
C22H28ClN3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)O
InChI
InChI=1S/C22H28ClN3O/c1-4-26(5-2)12-6-7-15(3)24-22-18-10-8-16(23)13-21(18)25-20-11-9-17(27)14-19(20)22/h8-11,13-15,27H,4-7,12H2,1-3H3,(H,24,25)
InChIKey
YKEDRCDYDREDNL-UHFFFAOYSA-N
Compound name
6-chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.19208 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19936 194.5
[M+Na]+ 408.18130 201.9
[M-H]- 384.18480 198.0
[M+NH4]+ 403.22590 207.6
[M+K]+ 424.15524 195.3
[M+H-H2O]+ 368.18934 186.0
[M+HCOO]- 430.19028 209.9
[M+CH3COO]- 444.20593 229.5
[M+Na-2H]- 406.16675 198.3
[M]+ 385.19153 201.0
[M]- 385.19263 201.0
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

No patent data available for this compound.