CID 25312602

Dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine

Structural Information

Molecular Formula
C11H12N4O3
SMILES
CN(C)CC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N4O3/c1-14(2)7-10-12-11(13-18-10)8-3-5-9(6-4-8)15(16)17/h3-6H,7H2,1-2H3
InChIKey
CEQVOOGLHNALOH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.09094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.098216 152.8
[M+Na]+ 271.080158 160.0
[M-H]- 247.083664 159.6
[M+NH4]+ 266.124763 167.2
[M+K]+ 287.054098 155.6
[M+H-H2O]+ 231.088200 148.4
[M+HCOO]- 293.089141 178.2
[M+CH3COO]- 307.104791 192.4
[M+Na-2H]- 269.065606 160.8
[M]+ 248.09039142 154.4
[M]- 248.09148858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.