CID 5288679

1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione

Structural Information

Molecular Formula
C24H20N2O3
SMILES
COC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
InChIKey
HLZMYWLMBBLASX-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

384.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 192.1
[M+Na]+ 407.136618 199.5
[M-H]- 383.140124 204.1
[M+NH4]+ 402.181223 203.2
[M+K]+ 423.110558 193.1
[M+H-H2O]+ 367.144660 181.1
[M+HCOO]- 429.145601 215.5
[M+CH3COO]- 443.161251 202.5
[M+Na-2H]- 405.122066 192.8
[M]+ 384.14685142 193.1
[M]- 384.14794858 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe