CID 148276

Icr 220

Structural Information

Molecular Formula
C20H23Cl2N3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCN(CCCl)CCCl
InChI
InChI=1S/C20H23Cl2N3/c21-10-14-25(15-11-22)13-5-12-23-20-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)20/h1-4,6-9H,5,10-15H2,(H,23,24)
InChIKey
MIOXFRWYWAQASN-UHFFFAOYSA-N
Compound name
N-acridin-9-yl-N',N'-bis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1269 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13418 188.3
[M+Na]+ 398.11612 204.4
[M+NH4]+ 393.16072 197.9
[M+K]+ 414.09006 192.5
[M-H]- 374.11962 193.7
[M+Na-2H]- 396.10157 196.4
[M]+ 375.12635 193.0
[M]- 375.12745 193.0
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.