CID 470990

Wr249420

Structural Information

Molecular Formula
C24H28F3N3O2
SMILES
CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H28F3N3O2/c1-15-9-11-29-22-19(30-16(2)6-5-10-28)13-20(31-3)23(21(15)22)32-14-17-7-4-8-18(12-17)24(25,26)27/h4,7-9,11-13,16,30H,5-6,10,14,28H2,1-3H3
InChIKey
KWXDHTBOEAXXHW-UHFFFAOYSA-N
Compound name
4-N-[6-methoxy-4-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]quinolin-8-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

447.21335 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22063 211.2
[M+Na]+ 470.20257 217.5
[M-H]- 446.20607 212.6
[M+NH4]+ 465.24717 219.3
[M+K]+ 486.17651 211.3
[M+H-H2O]+ 430.21061 198.3
[M+HCOO]- 492.21155 226.1
[M+CH3COO]- 506.22720 240.1
[M+Na-2H]- 468.18802 211.2
[M]+ 447.21280 210.8
[M]- 447.21390 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.