CID 279636

Nsc130852

Structural Information

Molecular Formula
C12H14N4O3
SMILES
C1COCCN1CN2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H14N4O3/c17-12-16(9-15-5-7-18-8-6-15)14-11(19-12)10-1-3-13-4-2-10/h1-4H,5-9H2
InChIKey
FODPZAAGVMIFSC-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-5-pyridin-4-yl-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1066 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11388 157.8
[M+Na]+ 285.09582 165.6
[M-H]- 261.09932 163.2
[M+NH4]+ 280.14042 167.3
[M+K]+ 301.06976 164.2
[M+H-H2O]+ 245.10386 147.0
[M+HCOO]- 307.10480 174.0
[M+CH3COO]- 321.12045 168.7
[M+Na-2H]- 283.08127 162.3
[M]+ 262.10605 157.4
[M]- 262.10715 157.4
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.