CID 522509

Brn 2002147

Structural Information

Molecular Formula
C18H32N2O4
SMILES
CC(C)C(=O)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(=O)C(C)C
InChI
InChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)
InChIKey
OAFTUJVCHZBHJF-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24348 182.5
[M+Na]+ 363.22542 183.7
[M-H]- 339.22892 181.7
[M+NH4]+ 358.27002 198.1
[M+K]+ 379.19936 184.5
[M+H-H2O]+ 323.23346 177.1
[M+HCOO]- 385.23440 190.7
[M+CH3COO]- 399.25005 222.1
[M+Na-2H]- 361.21087 179.4
[M]+ 340.23565 184.7
[M]- 340.23675 184.7
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