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 164.5
[M+Na]+ 299.14785 168.5
[M-H]- 275.15135 169.9
[M+NH4]+ 294.19245 177.6
[M+K]+ 315.12179 165.9
[M+H-H2O]+ 259.15589 154.5
[M+HCOO]- 321.15683 181.5
[M+CH3COO]- 335.17248 174.1
[M+Na-2H]- 297.13330 163.9
[M]+ 276.15808 159.1
[M]- 276.15918 159.1
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.