CID 3023134

1h-pyrrole-3-carboxamide, 2,5-dihydro-n,2,2,5,5-pentamethyl-n-(phenylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)N(C)CC2=CC=CC=C2)C
InChI
InChI=1S/C17H24N2O/c1-16(2)11-14(17(3,4)18-16)15(20)19(5)12-13-9-7-6-8-10-13/h6-11,18H,12H2,1-5H3
InChIKey
VBRTYSSQBYPBBM-UHFFFAOYSA-N
Compound name
N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.18887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 164.0
[M+Na]+ 295.178088 171.0
[M-H]- 271.181594 169.7
[M+NH4]+ 290.222693 184.6
[M+K]+ 311.152028 168.1
[M+H-H2O]+ 255.186130 157.6
[M+HCOO]- 317.187071 185.0
[M+CH3COO]- 331.202721 202.5
[M+Na-2H]- 293.163536 166.2
[M]+ 272.18832142 164.3
[M]- 272.18941858 164.3
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.