CID 6450631

Dodecanoylglidobactamide

Structural Information

Molecular Formula
C27H48N4O6
SMILES
CCCCCCCCCCCC(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)/C=C\C(NC1=O)C)O
InChI
InChI=1S/C27H48N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h14-15,19-22,25,32-33H,4-13,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b15-14-
InChIKey
LTJTUABPPHTTPQ-PFONDFGASA-N
Compound name
N-[3-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.35736 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.36464 229.7
[M+Na]+ 547.34658 226.0
[M-H]- 523.35008 221.0
[M+NH4]+ 542.39118 226.6
[M+K]+ 563.32052 222.5
[M+H-H2O]+ 507.35462 224.0
[M+HCOO]- 569.35556 234.4
[M+CH3COO]- 583.37121 241.5
[M+Na-2H]- 545.33203 218.7
[M]+ 524.35681 222.0
[M]- 524.35791 222.0
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.