CID 4342862

1-(3-bromophenyl)-3-(3,5-dimethylphenyl)urea

Structural Information

Molecular Formula
C15H15BrN2O
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Br)C
InChI
InChI=1S/C15H15BrN2O/c1-10-6-11(2)8-14(7-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKey
LWVVVSIPHMSPGG-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-(3,5-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.03677 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04405 165.4
[M+Na]+ 341.02599 175.2
[M-H]- 317.02949 174.6
[M+NH4]+ 336.07059 183.1
[M+K]+ 356.99993 162.7
[M+H-H2O]+ 301.03403 163.1
[M+HCOO]- 363.03497 188.0
[M+CH3COO]- 377.05062 207.8
[M+Na-2H]- 339.01144 170.9
[M]+ 318.03622 182.9
[M]- 318.03732 182.9
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

patents stripe