CID 366623

Nsc635298

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)N
InChI
InChI=1S/C12H14N4O2/c1-8-2-4-9(5-3-8)14-10(17)6-7-11-15-16-12(13)18-11/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)
InChIKey
DHXRYRUNICDEBU-UHFFFAOYSA-N
Compound name
3-(5-amino-1,3,4-oxadiazol-2-yl)-N-(4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 155.7
[M+Na]+ 269.10090 163.2
[M-H]- 245.10440 160.5
[M+NH4]+ 264.14550 169.9
[M+K]+ 285.07484 161.1
[M+H-H2O]+ 229.10894 146.8
[M+HCOO]- 291.10988 179.1
[M+CH3COO]- 305.12553 196.4
[M+Na-2H]- 267.08635 160.2
[M]+ 246.11113 156.3
[M]- 246.11223 156.3
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

No patent data available for this compound.