CID 215949

36855-63-7

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)NC2=CC=NC=C2)C)C
InChI
InChI=1S/C16H18N2O/c1-10-9-11(2)13(4)15(12(10)3)16(19)18-14-5-7-17-8-6-14/h5-9H,1-4H3,(H,17,18,19)
InChIKey
FZMVBQDLORLUJA-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethyl-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.6
[M+Na]+ 277.13112 168.4
[M-H]- 253.13462 165.8
[M+NH4]+ 272.17572 175.7
[M+K]+ 293.10506 164.3
[M+H-H2O]+ 237.13916 151.6
[M+HCOO]- 299.14010 182.5
[M+CH3COO]- 313.15575 201.6
[M+Na-2H]- 275.11657 163.0
[M]+ 254.14135 160.9
[M]- 254.14245 160.9
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.