CID 51989

Brn 1609907

Structural Information

Molecular Formula
C26H26ClN3O3
SMILES
COC1=CC2=C(C=C1)N(C3=C(C2=NC4=CC(=C(C=C4)O)CN5CCCCC5)C=CC(=C3)Cl)O
InChI
InChI=1S/C26H26ClN3O3/c1-33-20-7-9-23-22(15-20)26(21-8-5-18(27)14-24(21)30(23)32)28-19-6-10-25(31)17(13-19)16-29-11-3-2-4-12-29/h5-10,13-15,31-32H,2-4,11-12,16H2,1H3
InChIKey
FZXIXGQEIBHEIS-UHFFFAOYSA-N
Compound name
4-[(6-chloro-10-hydroxy-2-methoxyacridin-9-ylidene)amino]-2-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.16626 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.17354 212.1
[M+Na]+ 486.15548 220.5
[M-H]- 462.15898 219.0
[M+NH4]+ 481.20008 219.3
[M+K]+ 502.12942 212.1
[M+H-H2O]+ 446.16352 199.8
[M+HCOO]- 508.16446 222.4
[M+CH3COO]- 522.18011 219.3
[M+Na-2H]- 484.14093 214.8
[M]+ 463.16571 214.0
[M]- 463.16681 214.0
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

No patent data available for this compound.