CID 4417264

3,5-dinitro-n-propylbenzamide

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 153.6
[M+Na]+ 276.05909 158.6
[M-H]- 252.06259 157.2
[M+NH4]+ 271.10369 168.0
[M+K]+ 292.03303 149.2
[M+H-H2O]+ 236.06713 155.7
[M+HCOO]- 298.06807 179.5
[M+CH3COO]- 312.08372 186.0
[M+Na-2H]- 274.04454 161.0
[M]+ 253.06932 151.0
[M]- 253.07042 151.0
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.