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]+ 249.09822 152.8
[M+Na]+ 271.08016 160.0
[M-H]- 247.08366 159.6
[M+NH4]+ 266.12476 167.2
[M+K]+ 287.05410 155.6
[M+H-H2O]+ 231.08820 148.4
[M+HCOO]- 293.08914 178.2
[M+CH3COO]- 307.10479 192.4
[M+Na-2H]- 269.06561 160.8
[M]+ 248.09039 154.4
[M]- 248.09149 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.