CID 45039956

908844-46-2

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CCNCCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C21H26ClN3O/c1-4-23-11-5-6-14(2)24-21-17-9-7-15(22)12-20(17)25-19-10-8-16(26-3)13-18(19)21/h7-10,12-14,23H,4-6,11H2,1-3H3,(H,24,25)
InChIKey
PLRMAPKCAIMEDG-UHFFFAOYSA-N
Compound name
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.183726 189.7
[M+Na]+ 394.165668 197.9
[M-H]- 370.169174 193.3
[M+NH4]+ 389.210273 203.6
[M+K]+ 410.139608 190.9
[M+H-H2O]+ 354.173710 181.2
[M+HCOO]- 416.174651 206.5
[M+CH3COO]- 430.190301 225.7
[M+Na-2H]- 392.151116 195.2
[M]+ 371.17590142 196.5
[M]- 371.17699858 196.5
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

No patent data available for this compound.