CID 11980067

Icr 471

Structural Information

Molecular Formula
C26H27Cl2N3
SMILES
CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)C4=CC=CC=C4)CCCl
InChI
InChI=1S/C26H27Cl2N3/c1-2-31(16-13-27)15-6-14-29-26-22-11-10-21(28)18-25(22)30-24-12-9-20(17-23(24)26)19-7-4-3-5-8-19/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
InChIKey
KZHHZEYRZUCLHD-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(6-chloro-2-phenylacridin-9-yl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1582 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.16548 209.6
[M+Na]+ 474.14742 217.6
[M-H]- 450.15092 215.9
[M+NH4]+ 469.19202 220.5
[M+K]+ 490.12136 208.3
[M+H-H2O]+ 434.15546 199.0
[M+HCOO]- 496.15640 221.8
[M+CH3COO]- 510.17205 217.7
[M+Na-2H]- 472.13287 214.1
[M]+ 451.15765 217.1
[M]- 451.15875 217.1
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

No patent data available for this compound.