CID 24845207

93823-93-9

Structural Information

Molecular Formula
C20H31N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNCC2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C20H31N3O3/c1-19(2)12-15(20(3,4)23-19)18(24)22-10-9-21-13-14-7-8-16(25-5)17(11-14)26-6/h7-8,11-12,21,23H,9-10,13H2,1-6H3,(H,22,24)
InChIKey
HOPPAGQCTHIAIK-UHFFFAOYSA-N
Compound name
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.23654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 185.0
[M+Na]+ 384.22576 191.0
[M-H]- 360.22926 189.3
[M+NH4]+ 379.27036 201.3
[M+K]+ 400.19970 187.6
[M+H-H2O]+ 344.23380 178.3
[M+HCOO]- 406.23474 205.8
[M+CH3COO]- 420.25039 219.9
[M+Na-2H]- 382.21121 186.3
[M]+ 361.23599 188.1
[M]- 361.23709 188.1
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.