CID 132023446

Tisolagiline

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

26
Patents

322.1293 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.136576 173.1
[M+Na]+ 345.118518 178.9
[M-H]- 321.122024 175.2
[M+NH4]+ 340.163123 186.2
[M+K]+ 361.092458 174.1
[M+H-H2O]+ 305.126560 162.6
[M+HCOO]- 367.127501 191.4
[M+CH3COO]- 381.143151 213.4
[M+Na-2H]- 343.103966 174.3
[M]+ 322.12875142 167.1
[M]- 322.12984858 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