CID 58307112

Pyrrole derivative 4

Structural Information

Molecular Formula
C32H30Cl2N4O4
SMILES
CN1C(=CC(=C1C2=CC=C(C=C2)OCC(=O)N)C3=C(C=C(C=C3)Cl)Cl)C(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C32H30Cl2N4O4/c1-37-27(30(40)38-15-13-32(14-16-38,31(36)41)21-5-3-2-4-6-21)18-25(24-12-9-22(33)17-26(24)34)29(37)20-7-10-23(11-8-20)42-19-28(35)39/h2-12,17-18H,13-16,19H2,1H3,(H2,35,39)(H2,36,41)
InChIKey
LTDLMCVMMICHRM-UHFFFAOYSA-N
Compound name
1-[5-[4-(2-amino-2-oxoethoxy)phenyl]-4-(2,4-dichlorophenyl)-1-methylpyrrole-2-carbonyl]-4-phenylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

604.1644 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.17168 241.4
[M+Na]+ 627.15362 254.9
[M+NH4]+ 622.19822 247.2
[M+K]+ 643.12756 247.0
[M-H]- 603.15712 249.3
[M+Na-2H]- 625.13907 250.4
[M]+ 604.16385 246.1
[M]- 604.16495 246.1
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