CID 470843

Schembl8902680

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe