CID 11553026

Chembl383524

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)OC5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c1-27-14-16-28(17-15-27)25(29)21-12-7-11-20-23(21)26-22-13-6-5-10-19(22)24(20)30-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3
InChIKey
LXVPMKZOJJYDBP-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(9-phenoxyacridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

397.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 198.8
[M+Na]+ 420.16824 205.3
[M-H]- 396.17174 205.0
[M+NH4]+ 415.21284 206.3
[M+K]+ 436.14218 197.7
[M+H-H2O]+ 380.17628 184.8
[M+HCOO]- 442.17722 211.8
[M+CH3COO]- 456.19287 206.1
[M+Na-2H]- 418.15369 202.9
[M]+ 397.17847 197.0
[M]- 397.17957 197.0
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

patents stripe