CID 3040022

N-tert-butyl-5-phenylnicotinamide

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC(C)(C)NC(=O)C1=CN=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c1-16(2,3)18-15(19)14-9-13(10-17-11-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19)
InChIKey
WXJSYCBJCACERH-UHFFFAOYSA-N
Compound name
N-tert-butyl-5-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.9
[M+Na]+ 277.13112 174.2
[M+NH4]+ 272.17572 168.7
[M+K]+ 293.10506 167.3
[M-H]- 253.13462 164.8
[M+Na-2H]- 275.11657 170.1
[M]+ 254.14135 164.0
[M]- 254.14245 164.0
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

patents stripe