CID 217506

Icr 417

Structural Information

Molecular Formula
C24H25Cl2N3
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=N3)NCCCN(CCCl)CCCl
InChI
InChI=1S/C24H25Cl2N3/c25-10-14-29(15-11-26)13-5-12-27-24-20-8-3-4-9-22(20)28-23-17-19-7-2-1-6-18(19)16-21(23)24/h1-4,6-9,16-17H,5,10-15H2,(H,27,28)
InChIKey
SGQQYFIXOBXIKT-UHFFFAOYSA-N
Compound name
N-benzo[b]acridin-12-yl-N',N'-bis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.14255 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14983 199.3
[M+Na]+ 448.13177 207.3
[M-H]- 424.13527 203.3
[M+NH4]+ 443.17637 212.3
[M+K]+ 464.10571 198.4
[M+H-H2O]+ 408.13981 189.7
[M+HCOO]- 470.14075 210.8
[M+CH3COO]- 484.15640 207.8
[M+Na-2H]- 446.11722 206.4
[M]+ 425.14200 207.0
[M]- 425.14310 207.0
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.