CID 146909372

2417718-26-2

Structural Information

Molecular Formula
C25H19F3N2O
SMILES
C[C@H](C1=CC=CC=N1)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H19F3N2O/c1-16(23-7-2-3-14-29-23)30-24(31)19-10-13-22-18(15-19)5-4-6-21(22)17-8-11-20(12-9-17)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m1/s1
InChIKey
AAZUPSFRSHFTGV-MRXNPFEDSA-N
Compound name
N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

420.14496 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15224 201.1
[M+Na]+ 443.13418 207.5
[M-H]- 419.13768 205.8
[M+NH4]+ 438.17878 209.5
[M+K]+ 459.10812 199.8
[M+H-H2O]+ 403.14222 187.4
[M+HCOO]- 465.14316 215.5
[M+CH3COO]- 479.15881 208.4
[M+Na-2H]- 441.11963 203.6
[M]+ 420.14441 196.4
[M]- 420.14551 196.4
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