CID 54698240

Qiouirkeuollft-uhfffaoysa-n

Structural Information

Molecular Formula
C22H22Cl2N2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(C)C(CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H22Cl2N2O3/c1-25-13-19(20(27)22(25)29)21(28)26(2)18(11-14-3-7-16(23)8-4-14)12-15-5-9-17(24)10-6-15/h3-10,18,27H,11-13H2,1-2H3
InChIKey
QIOUIRKEUOLLFT-UHFFFAOYSA-N
Compound name
N-[1,3-bis(4-chlorophenyl)propan-2-yl]-4-hydroxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.10074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.10802 201.0
[M+Na]+ 455.08996 208.4
[M-H]- 431.09346 209.1
[M+NH4]+ 450.13456 212.2
[M+K]+ 471.06390 202.0
[M+H-H2O]+ 415.09800 193.0
[M+HCOO]- 477.09894 211.4
[M+CH3COO]- 491.11459 229.3
[M+Na-2H]- 453.07541 196.2
[M]+ 432.10019 206.3
[M]- 432.10129 206.3
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