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 188.3
[M+Na]+ 407.06884 194.9
[M-H]- 383.07234 195.0
[M+NH4]+ 402.11344 198.9
[M+K]+ 423.04278 186.8
[M+H-H2O]+ 367.07688 178.9
[M+HCOO]- 429.07782 199.9
[M+CH3COO]- 443.09347 197.2
[M+Na-2H]- 405.05429 190.6
[M]+ 384.07907 191.0
[M]- 384.08017 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.