CID 16073704

N-(2-morpholinoethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C17H17F6N3O
SMILES
C1COCCN1CCNC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H17F6N3O/c18-16(19,20)12-3-1-2-11-13(10-14(17(21,22)23)25-15(11)12)24-4-5-26-6-8-27-9-7-26/h1-3,10H,4-9H2,(H,24,25)
InChIKey
HGWWPSWOTKBKGD-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1276 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13488 191.1
[M+Na]+ 416.11682 198.2
[M-H]- 392.12032 188.0
[M+NH4]+ 411.16142 198.8
[M+K]+ 432.09076 192.5
[M+H-H2O]+ 376.12486 176.3
[M+HCOO]- 438.12580 197.6
[M+CH3COO]- 452.14145 221.5
[M+Na-2H]- 414.10227 194.3
[M]+ 393.12705 181.1
[M]- 393.12815 181.1
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.