CID 3835143

1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea

Structural Information

Molecular Formula
C24H26N2O
SMILES
CCC1=CC=CC(=C1NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C24H26N2O/c1-3-22-16-10-11-19(2)23(22)25-24(27)26(17-20-12-6-4-7-13-20)18-21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKey
UTEJXRQVGZWKEU-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

358.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 190.2
[M+Na]+ 381.19372 193.9
[M-H]- 357.19722 200.3
[M+NH4]+ 376.23832 202.2
[M+K]+ 397.16766 189.0
[M+H-H2O]+ 341.20176 179.5
[M+HCOO]- 403.20270 214.3
[M+CH3COO]- 417.21835 224.0
[M+Na-2H]- 379.17917 192.7
[M]+ 358.20395 190.5
[M]- 358.20505 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe