CID 3047326

Alpha-(p-decanoylamino-o-nitrobenzyl)pyridine

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCCCCCCCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C22H29N3O3/c1-2-3-4-5-6-7-8-12-22(26)24-20-14-13-18(21(17-20)25(27)28)16-19-11-9-10-15-23-19/h9-11,13-15,17H,2-8,12,16H2,1H3,(H,24,26)
InChIKey
KHXPDEAOWXJGLT-UHFFFAOYSA-N
Compound name
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.2209 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 196.7
[M+Na]+ 406.21012 198.8
[M-H]- 382.21362 200.6
[M+NH4]+ 401.25472 205.4
[M+K]+ 422.18406 189.7
[M+H-H2O]+ 366.21816 190.6
[M+HCOO]- 428.21910 218.3
[M+CH3COO]- 442.23475 218.4
[M+Na-2H]- 404.19557 199.6
[M]+ 383.22035 197.6
[M]- 383.22145 197.6
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