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]+ 391.197576 195.4
[M+Na]+ 413.179518 198.7
[M-H]- 389.183024 199.9
[M+NH4]+ 408.224123 195.2
[M+K]+ 429.153458 195.7
[M+H-H2O]+ 373.187560 185.5
[M+HCOO]- 435.188501 206.1
[M+CH3COO]- 449.204151 223.2
[M+Na-2H]- 411.164966 192.5
[M]+ 390.18975142 195.7
[M]- 390.19084858 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