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

31
Patents

306.19434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 177.2
[M+Na]+ 329.183558 180.0
[M-H]- 305.187064 179.5
[M+NH4]+ 324.228163 190.9
[M+K]+ 345.157498 172.7
[M+H-H2O]+ 289.191600 173.9
[M+HCOO]- 351.192541 200.6
[M+CH3COO]- 365.208191 203.9
[M+Na-2H]- 327.169006 180.3
[M]+ 306.19379142 178.4
[M]- 306.19488858 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