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]+ 273.134596 160.7
[M+Na]+ 295.116538 166.8
[M-H]- 271.120044 165.7
[M+NH4]+ 290.161143 174.6
[M+K]+ 311.090478 163.9
[M+H-H2O]+ 255.124580 151.7
[M+HCOO]- 317.125521 180.4
[M+CH3COO]- 331.141171 171.4
[M+Na-2H]- 293.101986 165.4
[M]+ 272.12677142 158.1
[M]- 272.12786858 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.