CID 86577417

N-(4-amino-1-carbamoyl-butyl)dodecanamide

Structural Information

Molecular Formula
C17H35N3O2
SMILES
CCCCCCCCCCCC(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C17H35N3O2/c1-2-3-4-5-6-7-8-9-10-13-16(21)20-15(17(19)22)12-11-14-18/h15H,2-14,18H2,1H3,(H2,19,22)(H,20,21)
InChIKey
SYBHAGRLYHTSHN-UHFFFAOYSA-N
Compound name
N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.27292 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.28020 185.0
[M+Na]+ 336.26214 184.9
[M-H]- 312.26564 182.2
[M+NH4]+ 331.30674 197.9
[M+K]+ 352.23608 182.5
[M+H-H2O]+ 296.27018 176.9
[M+HCOO]- 358.27112 204.8
[M+CH3COO]- 372.28677 218.1
[M+Na-2H]- 334.24759 181.1
[M]+ 313.27237 185.2
[M]- 313.27347 185.2
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.