CID 135770357

3-(pyrrol-2-ylmethyleneamino)-4-(piperidinomethyl)-2-oxazolidone

Structural Information

Molecular Formula
C14H20N4O2
SMILES
C1CCN(CC1)CC2COC(=O)N2/N=C/C3=CC=CN3
InChI
InChI=1S/C14H20N4O2/c19-14-18(16-9-12-5-4-6-15-12)13(11-20-14)10-17-7-2-1-3-8-17/h4-6,9,13,15H,1-3,7-8,10-11H2/b16-9+
InChIKey
XJXAYVLPUFXYEA-CXUHLZMHSA-N
Compound name
4-(piperidin-1-ylmethyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 166.2
[M+Na]+ 299.14785 174.7
[M+NH4]+ 294.19245 172.2
[M+K]+ 315.12179 173.2
[M-H]- 275.15135 169.9
[M+Na-2H]- 297.13330 170.1
[M]+ 276.15808 167.9
[M]- 276.15918 167.9
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.