CID 2742727

Maybridge4_004497

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CC1=C(C=C(N1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C25H29N3O2/c1-20-23(25(29)26-22-11-6-3-7-12-22)19-24(21-9-4-2-5-10-21)28(20)14-8-13-27-15-17-30-18-16-27/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,29)
InChIKey
ZMJGZFHHWVBRPQ-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

403.22598 Da
Monoisotopic Mass

3.5
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

patents stripe