CID 25219219

1119452-61-7

Structural Information

Molecular Formula
C14H16N4O2
SMILES
C1CC(C2=CC=CC=C2C1)NC(=O)C3=NC(=NO3)CN
InChI
InChI=1S/C14H16N4O2/c15-8-12-17-14(20-18-12)13(19)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8,15H2,(H,16,19)
InChIKey
HDKIXRPNAMOHCV-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 160.7
[M+Na]+ 295.11654 166.8
[M-H]- 271.12004 165.7
[M+NH4]+ 290.16114 174.6
[M+K]+ 311.09048 163.9
[M+H-H2O]+ 255.12458 151.7
[M+HCOO]- 317.12552 180.4
[M+CH3COO]- 331.14117 171.4
[M+Na-2H]- 293.10199 165.4
[M]+ 272.12677 158.1
[M]- 272.12787 158.1
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.