CID 40146

Picobenzide

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC(=CC(=C1)C(=O)NCC2=CC=NC=C2)C
InChI
InChI=1S/C15H16N2O/c1-11-7-12(2)9-14(8-11)15(18)17-10-13-3-5-16-6-4-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
JROSDBYIFZWPBP-UHFFFAOYSA-N
Compound name
3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

37
Patents

240.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.4
[M+Na]+ 263.11549 162.7
[M-H]- 239.11899 160.9
[M+NH4]+ 258.16009 171.4
[M+K]+ 279.08943 158.7
[M+H-H2O]+ 223.12353 147.0
[M+HCOO]- 285.12447 178.6
[M+CH3COO]- 299.14012 196.2
[M+Na-2H]- 261.10094 160.8
[M]+ 240.12572 155.4
[M]- 240.12682 155.4
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