CID 3040311

4-nitro-n-(3-propylhexan-2-yl)benzamide

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCCC(CCC)C(C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H24N2O3/c1-4-6-13(7-5-2)12(3)17-16(19)14-8-10-15(11-9-14)18(20)21/h8-13H,4-7H2,1-3H3,(H,17,19)
InChIKey
OPELIFYKZRIDDM-UHFFFAOYSA-N
Compound name
4-nitro-N-(3-propylhexan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 172.1
[M+Na]+ 315.167898 174.9
[M-H]- 291.171404 174.8
[M+NH4]+ 310.212503 186.3
[M+K]+ 331.141838 168.9
[M+H-H2O]+ 275.175940 169.4
[M+HCOO]- 337.176881 194.0
[M+CH3COO]- 351.192531 202.3
[M+Na-2H]- 313.153346 173.4
[M]+ 292.17813142 171.7
[M]- 292.17922858 171.7
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.