CID 54699

81186-19-8

Structural Information

Molecular Formula
C19H28N4O4
SMILES
CCC(CN(CN(CCCC(=O)O)C(=O)C1=CC=CC=C1)C2=NCCN2)O
InChI
InChI=1S/C19H28N4O4/c1-2-16(24)13-23(19-20-10-11-21-19)14-22(12-6-9-17(25)26)18(27)15-7-4-3-5-8-15/h3-5,7-8,16,24H,2,6,9-14H2,1H3,(H,20,21)(H,25,26)
InChIKey
IVVKHBDSLUPAPF-UHFFFAOYSA-N
Compound name
4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(2-hydroxybutyl)amino]methyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.21106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21834 190.5
[M+Na]+ 399.20028 190.1
[M-H]- 375.20378 191.9
[M+NH4]+ 394.24488 198.9
[M+K]+ 415.17422 188.6
[M+H-H2O]+ 359.20832 180.4
[M+HCOO]- 421.20926 206.8
[M+CH3COO]- 435.22491 219.9
[M+Na-2H]- 397.18573 187.9
[M]+ 376.21051 189.4
[M]- 376.21161 189.4
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.