CID 408353

Nsc13005

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)NCCNCCO
InChI
InChI=1S/C17H18ClN3O/c18-12-5-6-14-16(11-12)21-15-4-2-1-3-13(15)17(14)20-8-7-19-9-10-22/h1-6,11,19,22H,7-10H2,(H,20,21)
InChIKey
NECKSCNRKKDNBP-UHFFFAOYSA-N
Compound name
2-[2-[(3-chloroacridin-9-yl)amino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.11383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 169.1
[M+Na]+ 338.10305 178.2
[M-H]- 314.10655 171.8
[M+NH4]+ 333.14765 184.4
[M+K]+ 354.07699 170.7
[M+H-H2O]+ 298.11109 161.6
[M+HCOO]- 360.11203 186.9
[M+CH3COO]- 374.12768 179.9
[M+Na-2H]- 336.08850 178.5
[M]+ 315.11328 173.0
[M]- 315.11438 173.0
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.