CID 295049

1-phenyl-3-(2,3-xylyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

240.12627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.0
[M+Na]+ 263.11549 161.5
[M-H]- 239.11899 162.0
[M+NH4]+ 258.16009 172.1
[M+K]+ 279.08943 157.8
[M+H-H2O]+ 223.12353 147.3
[M+HCOO]- 285.12447 180.6
[M+CH3COO]- 299.14012 197.9
[M+Na-2H]- 261.10094 160.7
[M]+ 240.12572 153.8
[M]- 240.12682 153.8
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