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 190.8
[M+Na]+ 402.23632 192.5
[M-H]- 378.23982 192.2
[M+NH4]+ 397.28092 204.8
[M+K]+ 418.21026 189.6
[M+H-H2O]+ 362.24436 185.1
[M+HCOO]- 424.24530 204.2
[M+CH3COO]- 438.26095 219.6
[M+Na-2H]- 400.22177 187.6
[M]+ 379.24655 186.2
[M]- 379.24765 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.