CID 24845272

102131-93-1

Structural Information

Molecular Formula
C25H33N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C25H33N3O2/c1-24(2)17-22(25(3,4)28-24)23(29)27-15-9-14-26-18-19-10-8-13-21(16-19)30-20-11-6-5-7-12-20/h5-8,10-13,16-17,26,28H,9,14-15,18H2,1-4H3,(H,27,29)
InChIKey
ZVJHRAKCGOFWQK-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(3-phenoxyphenyl)methylamino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.25726 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26454 199.8
[M+Na]+ 430.24648 204.2
[M-H]- 406.24998 206.5
[M+NH4]+ 425.29108 213.4
[M+K]+ 446.22042 198.5
[M+H-H2O]+ 390.25452 190.5
[M+HCOO]- 452.25546 220.1
[M+CH3COO]- 466.27111 227.1
[M+Na-2H]- 428.23193 201.0
[M]+ 407.25671 200.2
[M]- 407.25781 200.2
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.