CID 2742335

Maybridge3_006700

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCCN4CCOCC4
InChI
InChI=1S/C25H29N3O2/c1-20-23(25(29)26-13-8-14-27-15-17-30-18-16-27)19-24(21-9-4-2-5-10-21)28(20)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,29)
InChIKey
WZKJDYARRIQNLG-UHFFFAOYSA-N
Compound name
2-methyl-N-(3-morpholin-4-ylpropyl)-1,5-diphenylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

403.22598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.233256 200.4
[M+Na]+ 426.215198 203.3
[M-H]- 402.218704 209.8
[M+NH4]+ 421.259803 207.4
[M+K]+ 442.189138 198.1
[M+H-H2O]+ 386.223240 188.3
[M+HCOO]- 448.224181 216.9
[M+CH3COO]- 462.239831 207.9
[M+Na-2H]- 424.200646 199.2
[M]+ 403.22543142 197.8
[M]- 403.22652858 197.8
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

No patent data available for this compound.