CID 212445

24269-77-0

Structural Information

Molecular Formula
C20H31N3O4
SMILES
CC(C)OC(=O)N1CCN(CC1)CCN(C2=CC=CC=C2)C(=O)OC(C)C
InChI
InChI=1S/C20H31N3O4/c1-16(2)26-19(24)22-13-10-21(11-14-22)12-15-23(20(25)27-17(3)4)18-8-6-5-7-9-18/h5-9,16-17H,10-15H2,1-4H3
InChIKey
RLZLEMWKVMKMCC-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(N-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23873 192.6
[M+Na]+ 400.22067 193.1
[M-H]- 376.22417 196.1
[M+NH4]+ 395.26527 201.3
[M+K]+ 416.19461 192.9
[M+H-H2O]+ 360.22871 182.2
[M+HCOO]- 422.22965 206.9
[M+CH3COO]- 436.24530 223.2
[M+Na-2H]- 398.20612 189.5
[M]+ 377.23090 193.1
[M]- 377.23200 193.1
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.