CID 165341011

771478-66-1

Structural Information

Molecular Formula
C26H52N6O2
SMILES
CCCCC(=NCCCNC(=O)NCCCCCCNC(=O)NCCCN=C(C)CCCC)C
InChI
InChI=1S/C26H52N6O2/c1-5-7-15-23(3)27-19-13-21-31-25(33)29-17-11-9-10-12-18-30-26(34)32-22-14-20-28-24(4)16-8-6-2/h5-22H2,1-4H3,(H2,29,31,33)(H2,30,32,34)
InChIKey
UTSLNPXBYAWVHZ-UHFFFAOYSA-N
Compound name
1-[3-(hexan-2-ylideneamino)propyl]-3-[6-[3-(hexan-2-ylideneamino)propylcarbamoylamino]hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.41516 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.42244 259.7
[M+Na]+ 503.40438 277.5
[M-H]- 479.40788 264.8
[M+NH4]+ 498.44898 262.8
[M+K]+ 519.37832 268.8
[M+H-H2O]+ 463.41242 218.4
[M+HCOO]- 525.41336 257.2
[M+CH3COO]- 539.42901 261.9
[M+Na-2H]- 501.38983 248.3
[M]+ 480.41461 247.8
[M]- 480.41571 247.8
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.