CID 898760

4-propan-2-yl-n-pyridin-2-ylbenzamide

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)
InChIKey
SDOPJFVCPDSIDQ-UHFFFAOYSA-N
Compound name
4-propan-2-yl-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

240.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.6
[M+Na]+ 263.11549 161.6
[M-H]- 239.11899 160.8
[M+NH4]+ 258.16009 171.1
[M+K]+ 279.08943 158.1
[M+H-H2O]+ 223.12353 147.1
[M+HCOO]- 285.12447 177.8
[M+CH3COO]- 299.14012 195.9
[M+Na-2H]- 261.10094 160.5
[M]+ 240.12572 154.6
[M]- 240.12682 154.6
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