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]+ 380.254376 190.8
[M+Na]+ 402.236318 192.5
[M-H]- 378.239824 192.2
[M+NH4]+ 397.280923 204.8
[M+K]+ 418.210258 189.6
[M+H-H2O]+ 362.244360 185.1
[M+HCOO]- 424.245301 204.2
[M+CH3COO]- 438.260951 219.6
[M+Na-2H]- 400.221766 187.6
[M]+ 379.24655142 186.2
[M]- 379.24764858 186.2
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.