CID 217500

Icr 472

Structural Information

Molecular Formula
C24H23Cl2N3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C4=C(C=C(C=C4)Cl)N=C3C=C2)NCCCNCCCl
InChI
InChI=1S/C24H23Cl2N3/c25-11-14-27-12-4-13-28-24-20-9-8-19(26)16-23(20)29-22-10-7-18(15-21(22)24)17-5-2-1-3-6-17/h1-3,5-10,15-16,27H,4,11-14H2,(H,28,29)
InChIKey
NBONSOXLKVTSHU-UHFFFAOYSA-N
Compound name
N-(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

423.1269 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13418 199.4
[M+Na]+ 446.11612 208.4
[M-H]- 422.11962 204.8
[M+NH4]+ 441.16072 211.0
[M+K]+ 462.09006 198.2
[M+H-H2O]+ 406.12416 189.6
[M+HCOO]- 468.12510 211.9
[M+CH3COO]- 482.14075 208.0
[M+Na-2H]- 444.10157 205.9
[M]+ 423.12635 205.2
[M]- 423.12745 205.2
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.