CID 3414942

N-decyl-4-nitrobenzamide

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCCCCCCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-18-17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20)
InChIKey
ZHJCYIYHOOGPQR-UHFFFAOYSA-N
Compound name
N-decyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

306.19434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.2
[M+Na]+ 329.18356 185.4
[M+NH4]+ 324.22816 181.3
[M+K]+ 345.15750 180.7
[M-H]- 305.18706 178.0
[M+Na-2H]- 327.16901 179.1
[M]+ 306.19379 177.0
[M]- 306.19489 177.0
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