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 165.8
[M+Na]+ 315.12347 174.8
[M-H]- 291.12697 170.4
[M+NH4]+ 310.16807 186.1
[M+K]+ 331.09741 168.8
[M+H-H2O]+ 275.13151 160.6
[M+HCOO]- 337.13245 182.1
[M+CH3COO]- 351.14810 201.0
[M+Na-2H]- 313.10892 168.2
[M]+ 292.13370 166.9
[M]- 292.13480 166.9
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.