CID 38163

38915-59-2

Structural Information

Molecular Formula
C24H27ClN4
SMILES
CCCN(CCCNC1=C2C=CC3=C(C2=NC4=CC=CC=C41)N=CC=C3)CCCl
InChI
InChI=1S/C24H27ClN4/c1-2-15-29(17-12-25)16-6-14-27-23-19-8-3-4-9-21(19)28-24-20(23)11-10-18-7-5-13-26-22(18)24/h3-5,7-11,13H,2,6,12,14-17H2,1H3,(H,27,28)
InChIKey
RLNPAGQUJBIRGS-UHFFFAOYSA-N
Compound name
N-benzo[b][1,10]phenanthrolin-7-yl-N'-(2-chloroethyl)-N'-propylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1924 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19968 198.0
[M+Na]+ 429.18162 205.5
[M-H]- 405.18512 201.5
[M+NH4]+ 424.22622 209.9
[M+K]+ 445.15556 197.2
[M+H-H2O]+ 389.18966 186.8
[M+HCOO]- 451.19060 213.1
[M+CH3COO]- 465.20625 206.4
[M+Na-2H]- 427.16707 206.2
[M]+ 406.19185 204.6
[M]- 406.19295 204.6
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.