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]+ 344.23326 183.4
[M+Na]+ 366.21520 187.9
[M-H]- 342.21870 187.1
[M+NH4]+ 361.25980 199.8
[M+K]+ 382.18914 183.7
[M+H-H2O]+ 326.22324 176.4
[M+HCOO]- 388.22418 203.3
[M+CH3COO]- 402.23983 214.7
[M+Na-2H]- 364.20065 184.4
[M]+ 343.22543 182.8
[M]- 343.22653 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.