CID 3023136

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(diphenylmethyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C22H26N2O/c1-21(2)15-18(22(3,4)24-21)20(25)23-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19,24H,1-4H3,(H,23,25)
InChIKey
VHGGDZFNPSIJCU-UHFFFAOYSA-N
Compound name
N-benzhydryl-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 182.2
[M+Na]+ 357.193718 187.9
[M-H]- 333.197224 189.4
[M+NH4]+ 352.238323 198.9
[M+K]+ 373.167658 182.4
[M+H-H2O]+ 317.201760 173.9
[M+HCOO]- 379.202701 201.4
[M+CH3COO]- 393.218351 210.8
[M+Na-2H]- 355.179166 183.4
[M]+ 334.20395142 179.8
[M]- 334.20504858 179.8
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.