CID 53752060

1,1'-(naphthalene-1,5-diyl)bis(3,3-dipropylurea)

Structural Information

Molecular Formula
C24H36N4O2
SMILES
CCCN(CCC)C(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)N(CCC)CCC
InChI
InChI=1S/C24H36N4O2/c1-5-15-27(16-6-2)23(29)25-21-13-9-12-20-19(21)11-10-14-22(20)26-24(30)28(17-7-3)18-8-4/h9-14H,5-8,15-18H2,1-4H3,(H,25,29)(H,26,30)
InChIKey
DBVOXGPJSTZROO-UHFFFAOYSA-N
Compound name
3-[5-(dipropylcarbamoylamino)naphthalen-1-yl]-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

412.2838 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.29108 207.4
[M+Na]+ 435.27302 208.3
[M-H]- 411.27652 212.8
[M+NH4]+ 430.31762 218.9
[M+K]+ 451.24696 206.5
[M+H-H2O]+ 395.28106 197.4
[M+HCOO]- 457.28200 230.4
[M+CH3COO]- 471.29765 244.4
[M+Na-2H]- 433.25847 207.2
[M]+ 412.28325 211.4
[M]- 412.28435 211.4
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