CID 14458353

Brn 6002470

Structural Information

Molecular Formula
C19H31N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2CCCCC2C(=O)O)C
InChI
InChI=1S/C19H31N3O4/c1-18(2)11-14(19(3,4)22-18)16(24)21-10-9-20-15(23)12-7-5-6-8-13(12)17(25)26/h11-13,22H,5-10H2,1-4H3,(H,20,23)(H,21,24)(H,25,26)
InChIKey
VPKPGZITIYAKBC-UHFFFAOYSA-N
Compound name
2-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.23145 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23873 186.6
[M+Na]+ 388.22067 188.8
[M-H]- 364.22417 188.2
[M+NH4]+ 383.26527 201.2
[M+K]+ 404.19461 186.1
[M+H-H2O]+ 348.22871 181.1
[M+HCOO]- 410.22965 200.4
[M+CH3COO]- 424.24530 216.7
[M+Na-2H]- 386.20612 183.9
[M]+ 365.23090 181.7
[M]- 365.23200 181.7
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.