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]+ 422.28020 203.9
[M+Na]+ 444.26214 207.9
[M-H]- 420.26564 210.5
[M+NH4]+ 439.30674 216.9
[M+K]+ 460.23608 202.0
[M+H-H2O]+ 404.27018 194.5
[M+HCOO]- 466.27112 223.9
[M+CH3COO]- 480.28677 230.0
[M+Na-2H]- 442.24759 204.7
[M]+ 421.27237 204.6
[M]- 421.27347 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.