CID 54698244

Schembl6076330

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-15(8-10-6-4-3-5-7-10)13(18)11-9-16(2)14(19)12(11)17/h3-7,17H,8-9H2,1-2H3
InChIKey
VLQHMYGKNXTUOC-UHFFFAOYSA-N
Compound name
N-benzyl-4-hydroxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.1161 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.3
[M+Na]+ 283.105318 165.5
[M-H]- 259.108824 164.3
[M+NH4]+ 278.149923 175.3
[M+K]+ 299.079258 163.4
[M+H-H2O]+ 243.113360 150.8
[M+HCOO]- 305.114301 180.8
[M+CH3COO]- 319.129951 198.9
[M+Na-2H]- 281.090766 159.0
[M]+ 260.11555142 159.3
[M]- 260.11664858 159.3
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

patents stripe