CID 470842

Cgp 74362a

Structural Information

Molecular Formula
C26H38ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCN(CCCCN)CCCCN
InChI
InChI=1S/C26H38ClN5O/c1-33-21-9-11-24-23(19-21)26(22-10-8-20(27)18-25(22)31-24)30-14-4-7-17-32(15-5-2-12-28)16-6-3-13-29/h8-11,18-19H,2-7,12-17,28-29H2,1H3,(H,30,31)
InChIKey
VPZZMXXZBFXGFJ-UHFFFAOYSA-N
Compound name
N'-(4-aminobutyl)-N'-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.2765 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.28378 217.4
[M+Na]+ 494.26572 221.9
[M-H]- 470.26922 220.2
[M+NH4]+ 489.31032 226.5
[M+K]+ 510.23966 214.7
[M+H-H2O]+ 454.27376 207.2
[M+HCOO]- 516.27470 234.7
[M+CH3COO]- 530.29035 251.8
[M+Na-2H]- 492.25117 220.1
[M]+ 471.27595 224.4
[M]- 471.27705 224.4
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.