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]+ 313.22743 179.8
[M+Na]+ 335.20937 182.5
[M-H]- 311.21287 182.9
[M+NH4]+ 330.25397 194.6
[M+K]+ 351.18331 178.7
[M+H-H2O]+ 295.21741 171.7
[M+HCOO]- 357.21835 199.9
[M+CH3COO]- 371.23400 215.3
[M+Na-2H]- 333.19482 181.6
[M]+ 312.21960 179.9
[M]- 312.22070 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.