CID 3616616

89307-23-3

Structural Information

Molecular Formula
C20H42N4O2
SMILES
CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC
InChI
InChI=1S/C20H42N4O2/c1-3-5-7-11-15-21-19(25)23-17-13-9-10-14-18-24-20(26)22-16-12-8-6-4-2/h3-18H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKey
RIQWMBYGUHQQOS-UHFFFAOYSA-N
Compound name
1-hexyl-3-[6-(hexylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.33078 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.33806 199.0
[M+Na]+ 393.32000 197.1
[M-H]- 369.32350 196.7
[M+NH4]+ 388.36460 210.0
[M+K]+ 409.29394 194.4
[M+H-H2O]+ 353.32804 189.8
[M+HCOO]- 415.32898 221.1
[M+CH3COO]- 429.34463 230.6
[M+Na-2H]- 391.30545 197.5
[M]+ 370.33023 202.0
[M]- 370.33133 202.0
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

patents stripe