CID 24845282

102131-97-5

Structural Information

Molecular Formula
C26H35N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=C(C=C2)OCC3=CC=CC=C3)C
InChI
InChI=1S/C26H35N3O2/c1-25(2)17-23(26(3,4)29-25)24(30)28-16-8-15-27-18-20-11-13-22(14-12-20)31-19-21-9-6-5-7-10-21/h5-7,9-14,17,27,29H,8,15-16,18-19H2,1-4H3,(H,28,30)
InChIKey
ZQCINAVSRLVBOV-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.27292 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.280196 203.9
[M+Na]+ 444.262138 207.9
[M-H]- 420.265644 210.5
[M+NH4]+ 439.306743 216.9
[M+K]+ 460.236078 202.0
[M+H-H2O]+ 404.270180 194.5
[M+HCOO]- 466.271121 223.9
[M+CH3COO]- 480.286771 230.0
[M+Na-2H]- 442.247586 204.7
[M]+ 421.27237142 204.6
[M]- 421.27346858 204.6
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.