CID 161991

Icr 368

Structural Information

Molecular Formula
C23H25ClN4
SMILES
CCN(CCCNC1=C2C=CC3=C(C2=NC4=CC=CC=C41)N=CC=C3)CCCl
InChI
InChI=1S/C23H25ClN4/c1-2-28(16-12-24)15-6-14-26-22-18-8-3-4-9-20(18)27-23-19(22)11-10-17-7-5-13-25-21(17)23/h3-5,7-11,13H,2,6,12,14-16H2,1H3,(H,26,27)
InChIKey
ACFXRTVRTJDJSS-UHFFFAOYSA-N
Compound name
N-benzo[b][1,10]phenanthrolin-7-yl-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1768 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18408 193.5
[M+Na]+ 415.16602 201.5
[M-H]- 391.16952 197.2
[M+NH4]+ 410.21062 206.0
[M+K]+ 431.13996 193.4
[M+H-H2O]+ 375.17406 182.5
[M+HCOO]- 437.17500 208.9
[M+CH3COO]- 451.19065 202.4
[M+Na-2H]- 413.15147 202.2
[M]+ 392.17625 199.8
[M]- 392.17735 199.8
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.