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]+ 261.12338 158.3
[M+Na]+ 283.10532 165.5
[M-H]- 259.10882 164.3
[M+NH4]+ 278.14992 175.3
[M+K]+ 299.07926 163.4
[M+H-H2O]+ 243.11336 150.8
[M+HCOO]- 305.11430 180.8
[M+CH3COO]- 319.12995 198.9
[M+Na-2H]- 281.09077 159.0
[M]+ 260.11555 159.3
[M]- 260.11665 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