CID 54701

81186-21-2

Structural Information

Molecular Formula
C20H28N4O3
SMILES
C1CCC(C1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3
InChI
InChI=1S/C20H28N4O3/c25-18(26)11-6-14-23(19(27)16-7-2-1-3-8-16)15-24(17-9-4-5-10-17)20-21-12-13-22-20/h1-3,7-8,17H,4-6,9-15H2,(H,21,22)(H,25,26)
InChIKey
NIPSVSOVTLKTPQ-UHFFFAOYSA-N
Compound name
4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.21616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22344 189.7
[M+Na]+ 395.20538 194.5
[M+NH4]+ 390.24998 194.2
[M+K]+ 411.17932 194.7
[M-H]- 371.20888 191.9
[M+Na-2H]- 393.19083 193.6
[M]+ 372.21561 190.2
[M]- 372.21671 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.