CID 3060701

Icr 262

Structural Information

Molecular Formula
C20H27Cl2N3
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCN(CCCl)CCCl
InChI
InChI=1S/C20H27Cl2N3/c21-10-14-25(15-11-22)13-5-12-23-20-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)20/h1,3,6,8H,2,4-5,7,9-15H2,(H,23,24)
InChIKey
KGYLEMMHRVRJOX-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1582 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16548 189.3
[M+Na]+ 402.14742 194.0
[M-H]- 378.15092 191.5
[M+NH4]+ 397.19202 203.0
[M+K]+ 418.12136 186.6
[M+H-H2O]+ 362.15546 180.8
[M+HCOO]- 424.15640 198.3
[M+CH3COO]- 438.17205 225.5
[M+Na-2H]- 400.13287 193.2
[M]+ 379.15765 192.2
[M]- 379.15875 192.2
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.