CID 155937636

Tert-butyl 4-[4-(piperazin-1-yl)butyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H34N4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCCN2CCNCC2
InChI
InChI=1S/C17H34N4O2/c1-17(2,3)23-16(22)21-14-12-20(13-15-21)9-5-4-8-19-10-6-18-7-11-19/h18H,4-15H2,1-3H3
InChIKey
ASNIOTIPZYKWMN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-piperazin-1-ylbutyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2682 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27548 187.7
[M+Na]+ 349.25742 187.8
[M-H]- 325.26092 184.8
[M+NH4]+ 344.30202 194.9
[M+K]+ 365.23136 184.5
[M+H-H2O]+ 309.26546 177.0
[M+HCOO]- 371.26640 193.4
[M+CH3COO]- 385.28205 205.4
[M+Na-2H]- 347.24287 186.6
[M]+ 326.26765 180.6
[M]- 326.26875 180.6
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.