CID 11523705

N-(2-pyrrolidin-1-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C17H17F6N3
SMILES
C1CCN(C1)CCNC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H17F6N3/c18-16(19,20)12-5-3-4-11-13(24-6-9-26-7-1-2-8-26)10-14(17(21,22)23)25-15(11)12/h3-5,10H,1-2,6-9H2,(H,24,25)
InChIKey
UNZBEQXMEBDKLM-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.13266 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13994 184.9
[M+Na]+ 400.12188 192.7
[M-H]- 376.12538 181.8
[M+NH4]+ 395.16648 196.6
[M+K]+ 416.09582 185.7
[M+H-H2O]+ 360.12992 171.2
[M+HCOO]- 422.13086 194.5
[M+CH3COO]- 436.14651 218.7
[M+Na-2H]- 398.10733 186.0
[M]+ 377.13211 175.2
[M]- 377.13321 175.2
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