CID 3079019

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

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CCCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O3/c1-2-3-7-17(21)19-15-9-8-13(16(12-15)20(22)23)11-14-6-4-5-10-18-14/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,19,21)
InChIKey
GPACCUWDMXPHBM-UHFFFAOYSA-N
Compound name
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 172.6
[M+Na]+ 336.13186 185.9
[M+NH4]+ 331.17646 179.2
[M+K]+ 352.10580 181.3
[M-H]- 312.13536 177.6
[M+Na-2H]- 334.11731 180.2
[M]+ 313.14209 175.7
[M]- 313.14319 175.7
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