CID 347937

4-nitro-n,n-dipropylbenzamide

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCCN(CCC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O3/c1-3-9-14(10-4-2)13(16)11-5-7-12(8-6-11)15(17)18/h5-8H,3-4,9-10H2,1-2H3
InChIKey
QMXJBGRHVJEDCV-UHFFFAOYSA-N
Compound name
4-nitro-N,N-dipropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.3
[M+Na]+ 273.12096 163.0
[M-H]- 249.12446 162.8
[M+NH4]+ 268.16556 174.9
[M+K]+ 289.09490 158.1
[M+H-H2O]+ 233.12900 155.7
[M+HCOO]- 295.12994 183.6
[M+CH3COO]- 309.14559 195.3
[M+Na-2H]- 271.10641 162.8
[M]+ 250.13119 159.3
[M]- 250.13229 159.3
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

patents stripe