CID 212435

24269-71-4

Structural Information

Molecular Formula
C19H37N3O4
SMILES
CCCCCN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C19H37N3O4/c1-6-7-8-9-21(18(23)25-16(2)3)13-10-20-11-14-22(15-12-20)19(24)26-17(4)5/h16-17H,6-15H2,1-5H3
InChIKey
CQDYBXCPVMCXFJ-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[pentyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2784 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28568 195.4
[M+Na]+ 394.26762 195.4
[M-H]- 370.27112 195.3
[M+NH4]+ 389.31222 205.0
[M+K]+ 410.24156 196.0
[M+H-H2O]+ 354.27566 186.1
[M+HCOO]- 416.27660 208.6
[M+CH3COO]- 430.29225 224.4
[M+Na-2H]- 392.25307 190.1
[M]+ 371.27785 198.2
[M]- 371.27895 198.2
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.