CID 148272

38914-96-4

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]+ 314.141856 170.4
[M+Na]+ 336.123798 178.7
[M-H]- 312.127304 173.7
[M+NH4]+ 331.168403 186.2
[M+K]+ 352.097738 170.9
[M+H-H2O]+ 296.131840 162.1
[M+HCOO]- 358.132781 189.1
[M+CH3COO]- 372.148431 181.1
[M+Na-2H]- 334.109246 180.3
[M]+ 313.13403142 174.5
[M]- 313.13512858 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.