CID 24845186

102131-99-7

Structural Information

Molecular Formula
C22H33N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=CC=C2)OCC=C)C
InChI
InChI=1S/C22H33N3O2/c1-6-13-27-18-10-7-9-17(14-18)16-23-11-8-12-24-20(26)19-15-21(2,3)25-22(19,4)5/h6-7,9-10,14-15,23,25H,1,8,11-13,16H2,2-5H3,(H,24,26)
InChIKey
GRJNMTVBXCUHMZ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(3-prop-2-enoxyphenyl)methylamino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.25726 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.26454 190.3
[M+Na]+ 394.24648 195.0
[M-H]- 370.24998 193.9
[M+NH4]+ 389.29108 205.9
[M+K]+ 410.22042 189.9
[M+H-H2O]+ 354.25452 183.0
[M+HCOO]- 416.25546 210.5
[M+CH3COO]- 430.27111 221.6
[M+Na-2H]- 392.23193 191.0
[M]+ 371.25671 191.6
[M]- 371.25781 191.6
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.