CID 3062331

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-((4-methoxyphenyl)methyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C17H24N2O2/c1-16(2)10-14(17(3,4)19-16)15(20)18-11-12-6-8-13(21-5)9-7-12/h6-10,19H,11H2,1-5H3,(H,18,20)
InChIKey
YHAZXGGHTNGJSC-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.2
[M+Na]+ 311.17300 178.6
[M+NH4]+ 306.21760 177.6
[M+K]+ 327.14694 170.8
[M-H]- 287.17650 170.5
[M+Na-2H]- 309.15845 176.2
[M]+ 288.18323 170.5
[M]- 288.18433 170.5
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.