CID 54698195

Dauiidrengeffm-uhfffaoysa-n

Structural Information

Molecular Formula
C18H22Cl2N2O3
SMILES
CC(C)(C)CN1CC(=C(C1=O)O)C(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2N2O3/c1-18(2,3)10-22-9-12(15(23)17(22)25)16(24)21(4)8-11-5-6-13(19)14(20)7-11/h5-7,23H,8-10H2,1-4H3
InChIKey
DAUIIDRENGEFFM-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-1-(2,2-dimethylpropyl)-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.10074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10802 189.3
[M+Na]+ 407.08996 198.0
[M-H]- 383.09346 194.8
[M+NH4]+ 402.13456 203.3
[M+K]+ 423.06390 192.6
[M+H-H2O]+ 367.09800 183.4
[M+HCOO]- 429.09894 199.1
[M+CH3COO]- 443.11459 220.7
[M+Na-2H]- 405.07541 186.5
[M]+ 384.10019 195.2
[M]- 384.10129 195.2
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

No patent data available for this compound.