CID 3069242

84456-42-8

Structural Information

Molecular Formula
C16H27N3O5
SMILES
CCN1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C2C(O2)C(=O)O
InChI
InChI=1S/C16H27N3O5/c1-4-18-5-7-19(8-6-18)15(21)11(9-10(2)3)17-14(20)12-13(24-12)16(22)23/h10-13H,4-9H2,1-3H3,(H,17,20)(H,22,23)
InChIKey
NRIMRVAULJQUFO-UHFFFAOYSA-N
Compound name
3-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.19507 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20235 183.8
[M+Na]+ 364.18429 187.5
[M-H]- 340.18779 186.8
[M+NH4]+ 359.22889 187.5
[M+K]+ 380.15823 185.5
[M+H-H2O]+ 324.19233 175.6
[M+HCOO]- 386.19327 195.2
[M+CH3COO]- 400.20892 215.7
[M+Na-2H]- 362.16974 180.0
[M]+ 341.19452 185.3
[M]- 341.19562 185.3
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