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 166.8
[M+Na]+ 311.17300 174.4
[M-H]- 287.17650 171.4
[M+NH4]+ 306.21760 186.3
[M+K]+ 327.14694 170.8
[M+H-H2O]+ 271.18104 160.7
[M+HCOO]- 333.18198 187.5
[M+CH3COO]- 347.19763 202.4
[M+Na-2H]- 309.15845 169.3
[M]+ 288.18323 167.7
[M]- 288.18433 167.7
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.