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]+ 319.044046 165.4
[M+Na]+ 341.025988 175.2
[M-H]- 317.029494 174.6
[M+NH4]+ 336.070593 183.1
[M+K]+ 356.999928 162.7
[M+H-H2O]+ 301.034030 163.1
[M+HCOO]- 363.034971 188.0
[M+CH3COO]- 377.050621 207.8
[M+Na-2H]- 339.011436 170.9
[M]+ 318.03622142 182.9
[M]- 318.03731858 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