CID 59298

Brn 0324431

Structural Information

Molecular Formula
C21H18Cl2N2O
SMILES
C1=CC(=CC=C1C(CCNC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H18Cl2N2O/c22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)11-14-25-21(26)17-9-12-24-13-10-17/h1-10,12-13,20H,11,14H2,(H,25,26)
InChIKey
KIEBXRRHPCSAQF-UHFFFAOYSA-N
Compound name
N-[3,3-bis(4-chlorophenyl)propyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.07962 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.086896 188.3
[M+Na]+ 407.068838 194.9
[M-H]- 383.072344 195.0
[M+NH4]+ 402.113443 198.9
[M+K]+ 423.042778 186.8
[M+H-H2O]+ 367.076880 178.9
[M+HCOO]- 429.077821 199.9
[M+CH3COO]- 443.093471 197.2
[M+Na-2H]- 405.054286 190.6
[M]+ 384.07907142 191.0
[M]- 384.08016858 191.0
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

No patent data available for this compound.