CID 132023446

Kds2010

Structural Information

Molecular Formula
C17H17F3N2O
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H17F3N2O/c1-11(16(21)23)22-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H2,21,23)/t11-/m0/s1
InChIKey
XCUXYNYVUMLDKH-NSHDSACASA-N
Compound name
(2S)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

322.1293 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13658 173.1
[M+Na]+ 345.11852 178.9
[M-H]- 321.12202 175.2
[M+NH4]+ 340.16312 186.2
[M+K]+ 361.09246 174.1
[M+H-H2O]+ 305.12656 162.6
[M+HCOO]- 367.12750 191.4
[M+CH3COO]- 381.14315 213.4
[M+Na-2H]- 343.10397 174.3
[M]+ 322.12875 167.1
[M]- 322.12985 167.1
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

patents stripe