CID 3071278

87602-41-3

Structural Information

Molecular Formula
C28H30N4
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)C
InChI
InChI=1S/C28H30N4/c1-20-17-21(2)28-26(18-20)27(19-22(3)29-28)30-23-9-11-25(12-10-23)32-15-13-31(14-16-32)24-7-5-4-6-8-24/h4-12,17-19H,13-16H2,1-3H3,(H,29,30)
InChIKey
RGHHKTSAQKTSMJ-UHFFFAOYSA-N
Compound name
2,6,8-trimethyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.24704 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25432 210.7
[M+Na]+ 445.23626 216.3
[M-H]- 421.23976 218.8
[M+NH4]+ 440.28086 216.3
[M+K]+ 461.21020 206.8
[M+H-H2O]+ 405.24430 195.9
[M+HCOO]- 467.24524 224.3
[M+CH3COO]- 481.26089 217.1
[M+Na-2H]- 443.22171 211.8
[M]+ 422.24649 206.1
[M]- 422.24759 206.1
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.