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
1
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]+ 372.18373 189.7
[M+Na]+ 394.16567 197.9
[M-H]- 370.16917 193.3
[M+NH4]+ 389.21027 203.6
[M+K]+ 410.13961 190.9
[M+H-H2O]+ 354.17371 181.2
[M+HCOO]- 416.17465 206.5
[M+CH3COO]- 430.19030 225.7
[M+Na-2H]- 392.15112 195.2
[M]+ 371.17590 196.5
[M]- 371.17700 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.