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]+ 260.175736 159.6
[M+Na]+ 282.157678 167.4
[M-H]- 258.161184 162.9
[M+NH4]+ 277.202283 178.8
[M+K]+ 298.131618 163.5
[M+H-H2O]+ 242.165720 152.6
[M+HCOO]- 304.166661 179.6
[M+CH3COO]- 318.182311 195.8
[M+Na-2H]- 280.143126 163.7
[M]+ 259.16791142 158.6
[M]- 259.16900858 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.