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]+ 377.218336 190.5
[M+Na]+ 399.200278 190.1
[M-H]- 375.203784 191.9
[M+NH4]+ 394.244883 198.9
[M+K]+ 415.174218 188.6
[M+H-H2O]+ 359.208320 180.4
[M+HCOO]- 421.209261 206.8
[M+CH3COO]- 435.224911 219.9
[M+Na-2H]- 397.185726 187.9
[M]+ 376.21051142 189.4
[M]- 376.21160858 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.