CID 3060699

Icr 470

Structural Information

Molecular Formula
C26H26Cl3N3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C4=C(C=C(C=C4)Cl)N=C3C=C2)NCCCN(CCCl)CCCl
InChI
InChI=1S/C26H26Cl3N3/c27-11-15-32(16-12-28)14-4-13-30-26-22-9-8-21(29)18-25(22)31-24-10-7-20(17-23(24)26)19-5-2-1-3-6-19/h1-3,5-10,17-18H,4,11-16H2,(H,30,31)
InChIKey
FOEWAQNMRRJYRU-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(6-chloro-2-phenylacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.11923 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.12651 213.6
[M+Na]+ 508.10845 221.6
[M-H]- 484.11195 218.4
[M+NH4]+ 503.15305 223.3
[M+K]+ 524.08239 212.2
[M+H-H2O]+ 468.11649 203.5
[M+HCOO]- 530.11743 220.4
[M+CH3COO]- 544.13308 220.6
[M+Na-2H]- 506.09390 217.0
[M]+ 485.11868 221.7
[M]- 485.11978 221.7
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.