CID 3040320

52030-19-0

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCCC(CCC)C(C)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H28N2O/c1-4-9-16(10-5-2)15(3)21-20(23)22-19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-16H,4-5,9-10H2,1-3H3,(H2,21,22,23)
InChIKey
IIPPLXAXPGIQES-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-(3-propylhexan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 179.8
[M+Na]+ 335.209368 182.5
[M-H]- 311.212874 182.9
[M+NH4]+ 330.253973 194.6
[M+K]+ 351.183308 178.7
[M+H-H2O]+ 295.217410 171.7
[M+HCOO]- 357.218351 199.9
[M+CH3COO]- 371.234001 215.3
[M+Na-2H]- 333.194816 181.6
[M]+ 312.21960142 179.9
[M]- 312.22069858 179.9
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.