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]+ 273.19615 164.0
[M+Na]+ 295.17809 171.0
[M-H]- 271.18159 169.7
[M+NH4]+ 290.22269 184.6
[M+K]+ 311.15203 168.1
[M+H-H2O]+ 255.18613 157.6
[M+HCOO]- 317.18707 185.0
[M+CH3COO]- 331.20272 202.5
[M+Na-2H]- 293.16354 166.2
[M]+ 272.18832 164.3
[M]- 272.18942 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.