CID 306652

1-(3-hydroxyphenyl)-3-octadecylurea

Structural Information

Molecular Formula
C25H44N2O2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=CC=C1)O
InChI
InChI=1S/C25H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(29)27-23-19-18-20-24(28)22-23/h18-20,22,28H,2-17,21H2,1H3,(H2,26,27,29)
InChIKey
PLCGFXCACVMJGR-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

404.34027 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.34755 208.8
[M+Na]+ 427.32949 207.9
[M-H]- 403.33299 208.0
[M+NH4]+ 422.37409 218.3
[M+K]+ 443.30343 202.3
[M+H-H2O]+ 387.33753 199.3
[M+HCOO]- 449.33847 228.0
[M+CH3COO]- 463.35412 230.5
[M+Na-2H]- 425.31494 206.7
[M]+ 404.33972 212.7
[M]- 404.34082 212.7
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