CID 14458354

Brn 6005187

Structural Information

Molecular Formula
C20H33N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2CCCCC2C(=O)O)C
InChI
InChI=1S/C20H33N3O4/c1-19(2)12-15(20(3,4)23-19)17(25)22-11-7-10-21-16(24)13-8-5-6-9-14(13)18(26)27/h12-14,23H,5-11H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)
InChIKey
MKUBGXMSHGRRHB-UHFFFAOYSA-N
Compound name
2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.2471 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25438 191.3
[M+Na]+ 402.23632 194.6
[M+NH4]+ 397.28092 197.0
[M+K]+ 418.21026 190.2
[M-H]- 378.23982 190.5
[M+Na-2H]- 400.22177 193.5
[M]+ 379.24655 191.0
[M]- 379.24765 191.0
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.