CID 148272

Icr 449

Structural Information

Molecular Formula
C18H20ClN3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNCCCl
InChI
InChI=1S/C18H20ClN3/c19-10-13-20-11-5-12-21-18-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)18/h1-4,6-9,20H,5,10-13H2,(H,21,22)
InChIKey
YIGBQRORWFIZKB-UHFFFAOYSA-N
Compound name
N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14186 170.4
[M+Na]+ 336.12380 178.7
[M-H]- 312.12730 173.7
[M+NH4]+ 331.16840 186.2
[M+K]+ 352.09774 170.9
[M+H-H2O]+ 296.13184 162.1
[M+HCOO]- 358.13278 189.1
[M+CH3COO]- 372.14843 181.1
[M+Na-2H]- 334.10925 180.3
[M]+ 313.13403 174.5
[M]- 313.13513 174.5
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.