CID 15602982

(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine

Structural Information

Molecular Formula
C17H16ClN3
SMILES
C1=CC(=CC=C1C2=CNN=C2)[C@H](CN)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
InChIKey
HWVGILTYGZFGLR-KRWDZBQOSA-N
Compound name
(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

297.10327 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11055 168.6
[M+Na]+ 320.09249 176.2
[M-H]- 296.09599 173.8
[M+NH4]+ 315.13709 182.1
[M+K]+ 336.06643 168.2
[M+H-H2O]+ 280.10053 159.3
[M+HCOO]- 342.10147 184.7
[M+CH3COO]- 356.11712 178.9
[M+Na-2H]- 318.07794 170.8
[M]+ 297.10272 166.9
[M]- 297.10382 166.9
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