CID 45050897

853310-53-9

Structural Information

Molecular Formula
C23H29N3
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN(C)C
InChI
InChI=1S/C23H29N3/c1-23(2,3)18-12-10-17(11-13-18)21-16-22(24-14-15-26(4)5)19-8-6-7-9-20(19)25-21/h6-13,16H,14-15H2,1-5H3,(H,24,25)
InChIKey
IVTYDHXGFBOASK-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butylphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.23615 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24343 189.1
[M+Na]+ 370.22537 194.8
[M-H]- 346.22887 196.1
[M+NH4]+ 365.26997 202.2
[M+K]+ 386.19931 189.8
[M+H-H2O]+ 330.23341 179.1
[M+HCOO]- 392.23435 209.6
[M+CH3COO]- 406.25000 225.5
[M+Na-2H]- 368.21082 194.3
[M]+ 347.23560 190.9
[M]- 347.23670 190.9
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.