CID 459804

4-(4-diethylamino-1-methylbutylamino)-1,10-phenanthroline

Structural Information

Molecular Formula
C21H28N4
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC3=C(C2=NC=C1)N=CC=C3
InChI
InChI=1S/C21H28N4/c1-4-25(5-2)15-7-8-16(3)24-19-12-14-23-21-18(19)11-10-17-9-6-13-22-20(17)21/h6,9-14,16H,4-5,7-8,15H2,1-3H3,(H,23,24)
InChIKey
SNNUIMRNUYOWIM-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(1,10-phenanthrolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23138 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23866 184.0
[M+Na]+ 359.22060 189.7
[M-H]- 335.22410 187.1
[M+NH4]+ 354.26520 197.0
[M+K]+ 375.19454 184.6
[M+H-H2O]+ 319.22864 173.4
[M+HCOO]- 381.22958 204.3
[M+CH3COO]- 395.24523 223.6
[M+Na-2H]- 357.20605 190.9
[M]+ 336.23083 187.8
[M]- 336.23193 187.8
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.