CID 213219

N-benzoil-n',n'-di-n-propil-dl-isoglutamina [italian]

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCCN(CCC)C(CCC(=O)O)C(=O)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)15(10-11-16(21)22)18(24)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,21,22)(H,19,23,24)
InChIKey
IQYLNYFCJXRHTI-UHFFFAOYSA-N
Compound name
5-benzamido-4-(dipropylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.18927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 183.6
[M+Na]+ 357.17849 184.7
[M-H]- 333.18199 185.7
[M+NH4]+ 352.22309 195.8
[M+K]+ 373.15243 183.8
[M+H-H2O]+ 317.18653 175.3
[M+HCOO]- 379.18747 203.6
[M+CH3COO]- 393.20312 217.0
[M+Na-2H]- 355.16394 181.5
[M]+ 334.18872 185.5
[M]- 334.18982 185.5
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

patents stripe