CID 24845290

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(4-pyridinylmethyl)-2,2,5,5-tetramethyl-, dihydrochloride

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC2=CC=NC=C2)C
InChI
InChI=1S/C15H21N3O/c1-14(2)9-12(15(3,4)18-14)13(19)17-10-11-5-7-16-8-6-11/h5-9,18H,10H2,1-4H3,(H,17,19)
InChIKey
ADMIBTUMMDPMQK-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.16846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 159.6
[M+Na]+ 282.15768 167.4
[M-H]- 258.16118 162.9
[M+NH4]+ 277.20228 178.8
[M+K]+ 298.13162 163.5
[M+H-H2O]+ 242.16572 152.6
[M+HCOO]- 304.16666 179.6
[M+CH3COO]- 318.18231 195.8
[M+Na-2H]- 280.14313 163.7
[M]+ 259.16791 158.6
[M]- 259.16901 158.6
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.