CID 156419

Cinacalcet

Structural Information

Molecular Formula
C22H22F3N
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
InChIKey
VDHAWDNDOKGFTD-MRXNPFEDSA-N
Compound name
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1302
References

8862
Patents

357.17044 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17772 185.7
[M+Na]+ 380.15966 191.6
[M-H]- 356.16316 188.4
[M+NH4]+ 375.20426 198.9
[M+K]+ 396.13360 184.5
[M+H-H2O]+ 340.16770 174.3
[M+HCOO]- 402.16864 202.2
[M+CH3COO]- 416.18429 219.3
[M+Na-2H]- 378.14511 189.0
[M]+ 357.16989 181.8
[M]- 357.17099 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe