CID 45050899

853310-57-3

Structural Information

Molecular Formula
C25H33N3
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C25H33N3/c1-6-28(7-2)17-16-26-24-18-23(27-22-11-9-8-10-21(22)24)19-12-14-20(15-13-19)25(3,4)5/h8-15,18H,6-7,16-17H2,1-5H3,(H,26,27)
InChIKey
YQIOMUZCWRPRCV-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butylphenyl)quinolin-4-yl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.26746 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27474 198.2
[M+Na]+ 398.25668 202.9
[M-H]- 374.26018 204.8
[M+NH4]+ 393.30128 210.1
[M+K]+ 414.23062 197.5
[M+H-H2O]+ 358.26472 187.8
[M+HCOO]- 420.26566 218.0
[M+CH3COO]- 434.28131 231.4
[M+Na-2H]- 396.24213 202.3
[M]+ 375.26691 200.6
[M]- 375.26801 200.6
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.