CID 218426

Brn 0854520

Structural Information

Molecular Formula
C22H44N6O2
SMILES
CCCCN(CCN(CCCC)C(=O)N1CCN(CC1)C)C(=O)N2CCN(CC2)C
InChI
InChI=1S/C22H44N6O2/c1-5-7-9-25(21(29)27-15-11-23(3)12-16-27)19-20-26(10-8-6-2)22(30)28-17-13-24(4)14-18-28/h5-20H2,1-4H3
InChIKey
FJRWDPZMUAJHOT-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-[butyl-(4-methylpiperazine-1-carbonyl)amino]ethyl]-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.35257 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.35985 211.4
[M+Na]+ 447.34179 209.2
[M-H]- 423.34529 212.2
[M+NH4]+ 442.38639 216.1
[M+K]+ 463.31573 207.7
[M+H-H2O]+ 407.34983 198.9
[M+HCOO]- 469.35077 221.1
[M+CH3COO]- 483.36642 239.3
[M+Na-2H]- 445.32724 206.0
[M]+ 424.35202 208.8
[M]- 424.35312 208.8
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.