CID 54698192

Rtkopbmdkjilcj-uhfffaoysa-n

Structural Information

Molecular Formula
C16H19FN2O3
SMILES
CC(C)N1CC(=C(C1=O)O)C(=O)N(C)CC2=CC=C(C=C2)F
InChI
InChI=1S/C16H19FN2O3/c1-10(2)19-9-13(14(20)16(19)22)15(21)18(3)8-11-4-6-12(17)7-5-11/h4-7,10,20H,8-9H2,1-3H3
InChIKey
RTKOPBMDKJILCJ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.13797 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14525 169.7
[M+Na]+ 329.12719 176.7
[M-H]- 305.13069 174.4
[M+NH4]+ 324.17179 185.0
[M+K]+ 345.10113 174.3
[M+H-H2O]+ 289.13523 161.3
[M+HCOO]- 351.13617 189.5
[M+CH3COO]- 365.15182 209.8
[M+Na-2H]- 327.11264 167.0
[M]+ 306.13742 170.2
[M]- 306.13852 170.2
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