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]+ 306.217606 171.6
[M+Na]+ 328.199548 177.1
[M-H]- 304.203054 176.4
[M+NH4]+ 323.244153 190.2
[M+K]+ 344.173488 174.6
[M+H-H2O]+ 288.207590 165.6
[M+HCOO]- 350.208531 193.0
[M+CH3COO]- 364.224181 206.5
[M+Na-2H]- 326.184996 174.0
[M]+ 305.20978142 172.7
[M]- 305.21087858 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.