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]+ 378.238726 192.6
[M+Na]+ 400.220668 193.1
[M-H]- 376.224174 196.1
[M+NH4]+ 395.265273 201.3
[M+K]+ 416.194608 192.9
[M+H-H2O]+ 360.228710 182.2
[M+HCOO]- 422.229651 206.9
[M+CH3COO]- 436.245301 223.2
[M+Na-2H]- 398.206116 189.5
[M]+ 377.23090142 193.1
[M]- 377.23199858 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.