CID 11417726

Dibutyl ethylhexanoyl glutamide

Structural Information

Molecular Formula
C21H41N3O3
SMILES
CCCCC(CC)C(=O)N[C@@H](CCC(=O)NCCCC)C(=O)NCCCC
InChI
InChI=1S/C21H41N3O3/c1-5-9-12-17(8-4)20(26)24-18(21(27)23-16-11-7-3)13-14-19(25)22-15-10-6-2/h17-18H,5-16H2,1-4H3,(H,22,25)(H,23,27)(H,24,26)/t17?,18-/m0/s1
InChIKey
OVUBDKNXJHOLMI-ZVAWYAOSSA-N
Compound name
(2S)-N,N'-dibutyl-2-(2-ethylhexanoylamino)pentanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

827
Patents

383.3148 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.32208 205.7
[M+Na]+ 406.30402 203.9
[M-H]- 382.30752 203.5
[M+NH4]+ 401.34862 224.1
[M+K]+ 422.27796 202.4
[M+H-H2O]+ 366.31206 197.2
[M+HCOO]- 428.31300 219.5
[M+CH3COO]- 442.32865 232.7
[M+Na-2H]- 404.28947 199.5
[M]+ 383.31425 208.8
[M]- 383.31535 208.8
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