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]+ 385.08690 191.3
[M+Na]+ 407.06884 208.2
[M+NH4]+ 402.11344 199.8
[M+K]+ 423.04278 197.5
[M-H]- 383.07234 198.1
[M+Na-2H]- 405.05429 202.4
[M]+ 384.07907 196.5
[M]- 384.08017 196.5
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.