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]+ 335.21178 182.2
[M+Na]+ 357.19372 187.9
[M-H]- 333.19722 189.4
[M+NH4]+ 352.23832 198.9
[M+K]+ 373.16766 182.4
[M+H-H2O]+ 317.20176 173.9
[M+HCOO]- 379.20270 201.4
[M+CH3COO]- 393.21835 210.8
[M+Na-2H]- 355.17917 183.4
[M]+ 334.20395 179.8
[M]- 334.20505 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.