CID 54698204

Cbvcrihreidigg-uhfffaoysa-n

Structural Information

Molecular Formula
C19H20Cl2N4O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCCN3C=CN=C3)O
InChI
InChI=1S/C19H20Cl2N4O3/c1-23(10-13-3-4-15(20)16(21)9-13)18(27)14-11-25(19(28)17(14)26)7-2-6-24-8-5-22-12-24/h3-5,8-9,12,26H,2,6-7,10-11H2,1H3
InChIKey
CBVCRIHREIDIGG-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

422.09125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09853 197.9
[M+Na]+ 445.08047 206.2
[M-H]- 421.08397 204.0
[M+NH4]+ 440.12507 208.6
[M+K]+ 461.05441 200.1
[M+H-H2O]+ 405.08851 188.4
[M+HCOO]- 467.08945 208.2
[M+CH3COO]- 481.10510 225.0
[M+Na-2H]- 443.06592 193.0
[M]+ 422.09070 203.8
[M]- 422.09180 203.8
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