CID 14306894

93823-59-7

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)CC2=CC=CC=C2)C
InChI
InChI=1S/C20H29N3O2/c1-19(2)14-16(20(3,4)23-19)18(25)22-12-8-11-21-17(24)13-15-9-6-5-7-10-15/h5-7,9-10,14,23H,8,11-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKey
GLGWPJGAWZGNPA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(2-phenylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.22598 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.233256 183.4
[M+Na]+ 366.215198 187.9
[M-H]- 342.218704 187.1
[M+NH4]+ 361.259803 199.8
[M+K]+ 382.189138 183.7
[M+H-H2O]+ 326.223240 176.4
[M+HCOO]- 388.224181 203.3
[M+CH3COO]- 402.239831 214.7
[M+Na-2H]- 364.200646 184.4
[M]+ 343.22543142 182.8
[M]- 343.22652858 182.8
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.