CID 408011

Nsc-10666

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O
InChI
InChI=1S/C25H26ClN3O2/c1-4-29(5-2)15-16-12-18(7-11-24(16)30)27-25-20-9-6-17(26)13-23(20)28-22-10-8-19(31-3)14-21(22)25/h6-14,30H,4-5,15H2,1-3H3,(H,27,28)
InChIKey
GICKTUQFXCPPNY-UHFFFAOYSA-N
Compound name
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-(diethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

435.17136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 206.6
[M+Na]+ 458.16058 215.6
[M-H]- 434.16408 213.8
[M+NH4]+ 453.20518 217.5
[M+K]+ 474.13452 208.6
[M+H-H2O]+ 418.16862 196.3
[M+HCOO]- 480.16956 223.1
[M+CH3COO]- 494.18521 215.7
[M+Na-2H]- 456.14603 210.9
[M]+ 435.17081 214.3
[M]- 435.17191 214.3
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