CID 4417264

127312-05-4

Structural Information

Molecular Formula
C10H11N3O5
SMILES
CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O5/c1-2-3-11-10(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6H,2-3H2,1H3,(H,11,14)
InChIKey
LTJACLQPFWDXMR-UHFFFAOYSA-N
Compound name
3,5-dinitro-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 161.1
[M+Na]+ 276.05909 167.3
[M+NH4]+ 271.10369 169.7
[M+K]+ 292.03303 176.6
[M-H]- 252.06259 156.5
[M+Na-2H]- 274.04454 159.3
[M]+ 253.06932 162.7
[M]- 253.07042 162.7
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.