CID 16760630

Cethrin

Structural Information

Molecular Formula
C23H30ClN3O
SMILES
CCN(CC)CCCC(C)NC1=CC(=CC2=C1C=C3C=C(C=CC3=N2)OC)Cl
InChI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)11-7-8-16(3)25-22-14-18(24)15-23-20(22)13-17-12-19(28-4)9-10-21(17)26-23/h9-10,12-16,25H,5-8,11H2,1-4H3
InChIKey
SBPCESORRTYRJS-UHFFFAOYSA-N
Compound name
4-N-(3-chloro-7-methoxyacridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

4
Patents

399.20773 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21501 199.1
[M+Na]+ 422.19695 214.0
[M+NH4]+ 417.24155 207.6
[M+K]+ 438.17089 203.8
[M-H]- 398.20045 204.1
[M+Na-2H]- 420.18240 205.4
[M]+ 399.20718 203.1
[M]- 399.20828 203.1
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