CID 3069246

84456-44-0

Structural Information

Molecular Formula
C19H26N4O5
SMILES
CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3C(O3)C(=O)O
InChI
InChI=1S/C19H26N4O5/c1-12(2)11-13(21-17(24)15-16(28-15)19(26)27)18(25)23-9-7-22(8-10-23)14-5-3-4-6-20-14/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,21,24)(H,26,27)
InChIKey
HRNOWCKLXKIUHP-UHFFFAOYSA-N
Compound name
3-[[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.1903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19758 195.4
[M+Na]+ 413.17952 198.7
[M-H]- 389.18302 199.9
[M+NH4]+ 408.22412 195.2
[M+K]+ 429.15346 195.7
[M+H-H2O]+ 373.18756 185.5
[M+HCOO]- 435.18850 206.1
[M+CH3COO]- 449.20415 223.2
[M+Na-2H]- 411.16497 192.5
[M]+ 390.18975 195.7
[M]- 390.19085 195.7
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