CID 203770

15139-06-7

Structural Information

Molecular Formula
C16H17F3N4
SMILES
C1CN(CCN1C2=C(C=NC=C2)N)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H17F3N4/c17-16(18,19)12-2-1-3-13(10-12)22-6-8-23(9-7-22)15-4-5-21-11-14(15)20/h1-5,10-11H,6-9,20H2
InChIKey
KBWWNIUCIOYWAE-UHFFFAOYSA-N
Compound name
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14053 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14781 176.1
[M+Na]+ 345.12975 182.8
[M-H]- 321.13325 176.8
[M+NH4]+ 340.17435 185.2
[M+K]+ 361.10369 175.9
[M+H-H2O]+ 305.13779 162.5
[M+HCOO]- 367.13873 188.2
[M+CH3COO]- 381.15438 183.9
[M+Na-2H]- 343.11520 178.7
[M]+ 322.13998 166.2
[M]- 322.14108 166.2
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

No patent data available for this compound.