CID 5270855

1-[4-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]ethanone

Structural Information

Molecular Formula
C22H17ClN2O2
SMILES
CC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C22H17ClN2O2/c1-13(26)14-3-6-16(7-4-14)24-22-18-9-5-15(23)11-21(18)25-20-10-8-17(27-2)12-19(20)22/h3-12H,1-2H3,(H,24,25)
InChIKey
MRRFFPCFTOUTTL-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.09787 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10515 188.1
[M+Na]+ 399.08709 198.8
[M-H]- 375.09059 195.6
[M+NH4]+ 394.13169 201.4
[M+K]+ 415.06103 191.5
[M+H-H2O]+ 359.09513 178.4
[M+HCOO]- 421.09607 204.9
[M+CH3COO]- 435.11172 198.9
[M+Na-2H]- 397.07254 194.1
[M]+ 376.09732 194.2
[M]- 376.09842 194.2
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.