CID 234345

N,n-bis(propan-2-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC(C)N(C(C)C)C(=O)C1=CC=NC=C1
InChI
InChI=1S/C12H18N2O/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11/h5-10H,1-4H3
InChIKey
HLRSGDOBQLTYNO-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

206.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.7
[M+Na]+ 229.13112 153.7
[M-H]- 205.13462 152.0
[M+NH4]+ 224.17572 166.5
[M+K]+ 245.10506 153.7
[M+H-H2O]+ 189.13916 141.2
[M+HCOO]- 251.14010 170.0
[M+CH3COO]- 265.15575 194.5
[M+Na-2H]- 227.11657 151.3
[M]+ 206.14135 149.5
[M]- 206.14245 149.5
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