CID 136428

1,3-bis(3-methylphenyl)urea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C15H16N2O/c1-11-5-3-7-13(9-11)16-15(18)17-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
UPUMJVLEADOLKF-UHFFFAOYSA-N
Compound name
1,3-bis(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

240.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 156.6
[M+Na]+ 263.11549 169.9
[M+NH4]+ 258.16009 165.2
[M+K]+ 279.08943 162.2
[M-H]- 239.11899 162.4
[M+Na-2H]- 261.10094 166.0
[M]+ 240.12572 160.1
[M]- 240.12682 160.1
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