CID 24845200

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

Structural Information

Molecular Formula
C16H21ClN2O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H21ClN2O/c1-15(2)9-13(16(3,4)19-15)14(20)18-10-11-5-7-12(17)8-6-11/h5-9,19H,10H2,1-4H3,(H,18,20)
InChIKey
IKZURMYWWVKFFL-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.13425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14153 166.3
[M+Na]+ 315.12347 178.2
[M+NH4]+ 310.16807 176.7
[M+K]+ 331.09741 169.2
[M-H]- 291.12697 169.2
[M+Na-2H]- 313.10892 175.1
[M]+ 292.13370 169.3
[M]- 292.13480 169.3
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.