CID 3023132

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

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC2=CC=CC=C2)C
InChI
InChI=1S/C16H22N2O/c1-15(2)10-13(16(3,4)18-15)14(19)17-11-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3,(H,17,19)
InChIKey
PDCYKGVXNHQEGG-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.17322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 160.2
[M+Na]+ 281.162438 167.6
[M-H]- 257.165944 164.7
[M+NH4]+ 276.207043 180.8
[M+K]+ 297.136378 163.5
[M+H-H2O]+ 241.170480 154.1
[M+HCOO]- 303.171421 181.2
[M+CH3COO]- 317.187071 196.1
[M+Na-2H]- 279.147886 163.7
[M]+ 258.17267142 159.0
[M]- 258.17376858 159.0
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.