CID 3059510

O-nitrophenylundecylenanilide

Structural Information

Molecular Formula
C17H24N2O3
SMILES
C=CCCCCCCCCC(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C17H24N2O3/c1-2-3-4-5-6-7-8-9-14-17(20)18-15-12-10-11-13-16(15)19(21)22/h2,10-13H,1,3-9,14H2,(H,18,20)
InChIKey
RNBFTNANRJSIGM-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 176.0
[M+Na]+ 327.16790 179.0
[M-H]- 303.17140 178.3
[M+NH4]+ 322.21250 189.6
[M+K]+ 343.14184 171.1
[M+H-H2O]+ 287.17594 172.7
[M+HCOO]- 349.17688 199.6
[M+CH3COO]- 363.19253 202.9
[M+Na-2H]- 325.15335 179.1
[M]+ 304.17813 176.5
[M]- 304.17923 176.5
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

No patent data available for this compound.