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

26
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 177.2
[M+Na]+ 329.18356 180.0
[M-H]- 305.18706 179.5
[M+NH4]+ 324.22816 190.9
[M+K]+ 345.15750 172.7
[M+H-H2O]+ 289.19160 173.9
[M+HCOO]- 351.19254 200.6
[M+CH3COO]- 365.20819 203.9
[M+Na-2H]- 327.16901 180.3
[M]+ 306.19379 178.4
[M]- 306.19489 178.4
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