CID 4124417

4'-nitrodecananilide

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCCCCCCCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-9-16(19)17-14-10-12-15(13-11-14)18(20)21/h10-13H,2-9H2,1H3,(H,17,19)
InChIKey
OYQMGBPTCMSMAD-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

292.17868 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 172.5
[M+Na]+ 315.16790 175.7
[M-H]- 291.17140 174.9
[M+NH4]+ 310.21250 186.7
[M+K]+ 331.14184 168.7
[M+H-H2O]+ 275.17594 169.4
[M+HCOO]- 337.17688 196.2
[M+CH3COO]- 351.19253 200.9
[M+Na-2H]- 313.15335 176.1
[M]+ 292.17813 173.3
[M]- 292.17923 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe