CID 139590719

Bacillamidin c

Structural Information

Molecular Formula
C17H30N2O3
SMILES
CCC(C)CCCCCCCCC(=O)N[C@@H]1CC(=O)NC1=O
InChI
InChI=1S/C17H30N2O3/c1-3-13(2)10-8-6-4-5-7-9-11-15(20)18-14-12-16(21)19-17(14)22/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21,22)/t13?,14-/m1/s1
InChIKey
LCKMULXMUGZXNI-ARLHGKGLSA-N
Compound name
N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.22565 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23293 180.0
[M+Na]+ 333.21487 182.5
[M-H]- 309.21837 179.3
[M+NH4]+ 328.25947 194.1
[M+K]+ 349.18881 179.1
[M+H-H2O]+ 293.22291 172.6
[M+HCOO]- 355.22385 197.1
[M+CH3COO]- 369.23950 208.1
[M+Na-2H]- 331.20032 176.0
[M]+ 310.22510 180.1
[M]- 310.22620 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.