CID 459793

Schembl17423193

Structural Information

Molecular Formula
C23H28ClN3O
SMILES
CC(CCN1CCCCC1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C23H28ClN3O/c1-16(10-13-27-11-4-3-5-12-27)25-23-19-8-6-17(24)14-22(19)26-21-9-7-18(28-2)15-20(21)23/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,25,26)
InChIKey
QALDRBOYNYAPEY-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxy-N-(4-piperidin-1-ylbutan-2-yl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.19208 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19936 196.4
[M+Na]+ 420.18130 202.6
[M-H]- 396.18480 200.5
[M+NH4]+ 415.22590 207.1
[M+K]+ 436.15524 194.9
[M+H-H2O]+ 380.18934 185.3
[M+HCOO]- 442.19028 206.8
[M+CH3COO]- 456.20593 204.1
[M+Na-2H]- 418.16675 199.7
[M]+ 397.19153 197.8
[M]- 397.19263 197.8
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

patents stripe