CID 213219

Dtxsid90948705

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

4
Patents

334.18927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 183.6
[M+Na]+ 357.178488 184.7
[M-H]- 333.181994 185.7
[M+NH4]+ 352.223093 195.8
[M+K]+ 373.152428 183.8
[M+H-H2O]+ 317.186530 175.3
[M+HCOO]- 379.187471 203.6
[M+CH3COO]- 393.203121 217.0
[M+Na-2H]- 355.163936 181.5
[M]+ 334.18872142 185.5
[M]- 334.18981858 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