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]+ 289.191056 166.8
[M+Na]+ 311.172998 174.4
[M-H]- 287.176504 171.4
[M+NH4]+ 306.217603 186.3
[M+K]+ 327.146938 170.8
[M+H-H2O]+ 271.181040 160.7
[M+HCOO]- 333.181981 187.5
[M+CH3COO]- 347.197631 202.4
[M+Na-2H]- 309.158446 169.3
[M]+ 288.18323142 167.7
[M]- 288.18432858 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.