CID 217464

Icr 287

Structural Information

Molecular Formula
C19H25Cl2N3
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCN(CCCl)CCCl
InChI
InChI=1S/C19H25Cl2N3/c20-9-12-24(13-10-21)14-11-22-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7H,2,4,6,8-14H2,(H,22,23)
InChIKey
HWHGZNGJZRBONB-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.14255 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14983 184.8
[M+Na]+ 388.13177 189.9
[M-H]- 364.13527 187.2
[M+NH4]+ 383.17637 199.2
[M+K]+ 404.10571 182.8
[M+H-H2O]+ 348.13981 176.5
[M+HCOO]- 410.14075 194.2
[M+CH3COO]- 424.15640 193.1
[M+Na-2H]- 386.11722 189.3
[M]+ 365.14200 187.4
[M]- 365.14310 187.4
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.