CID 3080175

Sr 26241

Structural Information

Molecular Formula
C22H28F3N3O3
SMILES
CCCN(CCC)C(=O)C(C)NC1=C2C=CC(=CC2=NC=C1C(=O)OCC)C(F)(F)F
InChI
InChI=1S/C22H28F3N3O3/c1-5-10-28(11-6-2)20(29)14(4)27-19-16-9-8-15(22(23,24)25)12-18(16)26-13-17(19)21(30)31-7-3/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,27)
InChIKey
RRILIJHOFZMDMY-UHFFFAOYSA-N
Compound name
ethyl 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

439.20828 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.21556 206.5
[M+Na]+ 462.19750 210.9
[M-H]- 438.20100 206.1
[M+NH4]+ 457.24210 215.6
[M+K]+ 478.17144 208.0
[M+H-H2O]+ 422.20554 194.9
[M+HCOO]- 484.20648 220.8
[M+CH3COO]- 498.22213 240.6
[M+Na-2H]- 460.18295 204.9
[M]+ 439.20773 208.0
[M]- 439.20883 208.0
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

patents stripe