CID 24845229

93798-87-9

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CO2)C
InChI
InChI=1S/C17H27N3O2/c1-16(2)11-14(17(3,4)20-16)15(21)19-9-6-8-18-12-13-7-5-10-22-13/h5,7,10-11,18,20H,6,8-9,12H2,1-4H3,(H,19,21)
InChIKey
YRMDVQUBWPUKMC-UHFFFAOYSA-N
Compound name
N-[3-(furan-2-ylmethylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.21033 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 171.6
[M+Na]+ 328.19955 177.1
[M-H]- 304.20305 176.4
[M+NH4]+ 323.24415 190.2
[M+K]+ 344.17349 174.6
[M+H-H2O]+ 288.20759 165.6
[M+HCOO]- 350.20853 193.0
[M+CH3COO]- 364.22418 206.5
[M+Na-2H]- 326.18500 174.0
[M]+ 305.20978 172.7
[M]- 305.21088 172.7
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.