CID 54698242

Bnhqhrogaacwqi-uhfffaoysa-n

Structural Information

Molecular Formula
C20H17Cl3N2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)Cl)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H17Cl3N2O3/c1-24-11-15(18(26)20(24)28)19(27)25(9-12-2-5-14(21)6-3-12)10-13-4-7-16(22)17(23)8-13/h2-8,26H,9-11H2,1H3
InChIKey
BNHQHROGAACWQI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

438.0305 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.03778 198.6
[M+Na]+ 461.01972 207.9
[M-H]- 437.02322 205.8
[M+NH4]+ 456.06432 210.0
[M+K]+ 476.99366 200.9
[M+H-H2O]+ 421.02776 191.3
[M+HCOO]- 483.02870 205.1
[M+CH3COO]- 497.04435 228.1
[M+Na-2H]- 459.00517 194.2
[M]+ 438.02995 204.4
[M]- 438.03105 204.4
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